N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

C15H23Cl2N5O3 — CID 119608576

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)C(C)C)nc2[nH]c(=O)[nH]c(=O)c12.Cl.Cl
InChIInChI=1S/C15H21N5O3.2ClH/c1-7(2)15(4,6-16)20-12(21)9-5-8(3)10-11(17-9)18-14(23)19-13(10)22;;/h5,7H,6,16H2,1-4H3,(H,20,21)(H2,17,18,19,22,23);2*1H
InChIKeyUGVCKJFAVLVELT-UHFFFAOYSA-N
MW392.29 g/mol
LogP0.87
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (PubChem CID 119608576) has the molecular formula C15H23Cl2N5O3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
PubChem CID119608576
Molecular FormulaC15H23Cl2N5O3
Molecular Weight392.29 g/mol
Exact Mass391.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)C(C)C)nc2[nH]c(=O)[nH]c(=O)c12.Cl.Cl
InChIInChI=1S/C15H21N5O3.2ClH/c1-7(2)15(4,6-16)20-12(21)9-5-8(3)10-11(17-9)18-14(23)19-13(10)22;;/h5,7H,6,16H2,1-4H3,(H,20,21)(H2,17,18,19,22,23);2*1H
InChIKeyUGVCKJFAVLVELT-UHFFFAOYSA-N
XLogP0.87
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride (CID 119608576) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is Cc1cc(C(=O)NC(C)(CN)C(C)C)nc2[nH]c(=O)[nH]c(=O)c12.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
The InChIKey is UGVCKJFAVLVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3.2ClH/c1-7(2)15(4,6-16)20-12(21)9-5-8(3)10-11(17-9)18-14(23)19-13(10)22;;/h5,7H,6,16H2,1-4H3,(H,20,21)(H2,17,18,19,22,23);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride has a molecular weight of 392.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119608576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).