5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

C19H27Cl2N5O3 — CID 120804444

IUPAC5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C)(CN)C3)cc(C3CC3)nc21.Cl.Cl
InChIInChI=1S/C19H25N5O3.2ClH/c1-3-24-15-14(16(25)22-18(24)27)12(8-13(21-15)11-4-5-11)17(26)23-7-6-19(2,9-20)10-23;;/h8,11H,3-7,9-10,20H2,1-2H3,(H,22,25,27);2*1H
InChIKeyYKJGWTXIPJDKEQ-UHFFFAOYSA-N
MW444.36 g/mol
LogP1.64
Rot. Bonds4

About 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride

5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (PubChem CID 120804444) has the molecular formula C19H27Cl2N5O3 and a molecular weight of 444.36 g/mol. Its IUPAC name is 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
PubChem CID120804444
Molecular FormulaC19H27Cl2N5O3
Molecular Weight444.36 g/mol
Exact Mass443.15
IUPAC Name5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C)(CN)C3)cc(C3CC3)nc21.Cl.Cl
InChIInChI=1S/C19H25N5O3.2ClH/c1-3-24-15-14(16(25)22-18(24)27)12(8-13(21-15)11-4-5-11)17(26)23-7-6-19(2,9-20)10-23;;/h8,11H,3-7,9-10,20H2,1-2H3,(H,22,25,27);2*1H
InChIKeyYKJGWTXIPJDKEQ-UHFFFAOYSA-N
XLogP1.64
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
5-(3-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 119380475
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55967720
ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297679
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1-ethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119486618
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
7-cyclopropyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119397751
N-[3-(aminomethyl)pentan-3-yl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119571079
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55786643

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride (CID 120804444) is 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C)(CN)C3)cc(C3CC3)nc21.Cl.Cl.
What is the InChIKey of 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is YKJGWTXIPJDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.2ClH/c1-3-24-15-14(16(25)22-18(24)27)12(8-13(21-15)11-4-5-11)17(26)23-7-6-19(2,9-20)10-23;;/h8,11H,3-7,9-10,20H2,1-2H3,(H,22,25,27);2*1H.
What are the key properties of 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride?
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 444.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 120804444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).