5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C19H27N5O3 — CID 119486108

IUPAC5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(CN)C3)cc(C(C)C)nc21
InChIInChI=1S/C19H27N5O3/c1-4-6-24-16-15(17(25)22-19(24)27)13(8-14(21-16)11(2)3)18(26)23-7-5-12(9-20)10-23/h8,11-12H,4-7,9-10,20H2,1-3H3,(H,22,25,27)
InChIKeyONGJRISBFHBLAS-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.04
Rot. Bonds5

About 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 119486108) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID119486108
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(CN)C3)cc(C(C)C)nc21
InChIInChI=1S/C19H27N5O3/c1-4-6-24-16-15(17(25)22-19(24)27)13(8-14(21-16)11(2)3)18(26)23-7-5-12(9-20)10-23/h8,11-12H,4-7,9-10,20H2,1-3H3,(H,22,25,27)
InChIKeyONGJRISBFHBLAS-UHFFFAOYSA-N
XLogP1.04
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 119486108) is 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(CN)C3)cc(C(C)C)nc21.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ONGJRISBFHBLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-6-24-16-15(17(25)22-19(24)27)13(8-14(21-16)11(2)3)18(26)23-7-5-12(9-20)10-23/h8,11-12H,4-7,9-10,20H2,1-3H3,(H,22,25,27).
What are the key properties of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 373.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 119486108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).