N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C18H29Cl2N5O3 — CID 119597741

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C18H27N5O3.2ClH/c1-10(2)8-18(4,9-19)21-15(24)12-7-11(3)13-14(20-12)22(5)17(26)23(6)16(13)25;;/h7,10H,8-9,19H2,1-6H3,(H,21,24);2*1H
InChIKeyHDEPFFBQNZQDDK-UHFFFAOYSA-N
MW434.37 g/mol
LogP1.28
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 119597741) has the molecular formula C18H29Cl2N5O3 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID119597741
Molecular FormulaC18H29Cl2N5O3
Molecular Weight434.37 g/mol
Exact Mass433.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
InChIInChI=1S/C18H27N5O3.2ClH/c1-10(2)8-18(4,9-19)21-15(24)12-7-11(3)13-14(20-12)22(5)17(26)23(6)16(13)25;;/h7,10H,8-9,19H2,1-6H3,(H,21,24);2*1H
InChIKeyHDEPFFBQNZQDDK-UHFFFAOYSA-N
XLogP1.28
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 119597741) is N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is Cc1cc(C(=O)NC(C)(CN)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is HDEPFFBQNZQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3.2ClH/c1-10(2)8-18(4,9-19)21-15(24)12-7-11(3)13-14(20-12)22(5)17(26)23(6)16(13)25;;/h7,10H,8-9,19H2,1-6H3,(H,21,24);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119597741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).