N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride

C20H33Cl2N5O3 — CID 119642692

IUPACN-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(N)(CC)CC)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C20H31N5O3.2ClH/c1-6-9-25-16-15(18(27)24-19(25)28)13(10-14(23-16)12(4)5)17(26)22-11-20(21,7-2)8-3;;/h10,12H,6-9,11,21H2,1-5H3,(H,22,26)(H,24,27,28);2*1H
InChIKeyKEWSUTQHBRBIRE-UHFFFAOYSA-N
MW462.42 g/mol
LogP2.71
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 119642692) has the molecular formula C20H33Cl2N5O3 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
PubChem CID119642692
Molecular FormulaC20H33Cl2N5O3
Molecular Weight462.42 g/mol
Exact Mass461.20
IUPAC NameN-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(N)(CC)CC)cc(C(C)C)nc21.Cl.Cl
InChIInChI=1S/C20H31N5O3.2ClH/c1-6-9-25-16-15(18(27)24-19(25)28)13(10-14(23-16)12(4)5)17(26)22-11-20(21,7-2)8-3;;/h10,12H,6-9,11,21H2,1-5H3,(H,22,26)(H,24,27,28);2*1H
InChIKeyKEWSUTQHBRBIRE-UHFFFAOYSA-N
XLogP2.71
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride (CID 119642692) is N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(N)(CC)CC)cc(C(C)C)nc21.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is KEWSUTQHBRBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3.2ClH/c1-6-9-25-16-15(18(27)24-19(25)28)13(10-14(23-16)12(4)5)17(26)22-11-20(21,7-2)8-3;;/h10,12H,6-9,11,21H2,1-5H3,(H,22,26)(H,24,27,28);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 462.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119642692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).