N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

C12H20Cl2N4O — CID 119521608

IUPACN-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)NC(C)(C)CN)n1.Cl
InChIInChI=1S/C12H19ClN4O.ClH/c1-7(2)10-15-5-8(13)9(16-10)11(18)17-12(3,4)6-14;/h5,7H,6,14H2,1-4H3,(H,17,18);1H
InChIKeyYYCADYPZCDZMNJ-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.14
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 119521608) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
PubChem CID119521608
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)NC(C)(C)CN)n1.Cl
InChIInChI=1S/C12H19ClN4O.ClH/c1-7(2)10-15-5-8(13)9(16-10)11(18)17-12(3,4)6-14;/h5,7H,6,14H2,1-4H3,(H,17,18);1H
InChIKeyYYCADYPZCDZMNJ-UHFFFAOYSA-N
XLogP2.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62517983
5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103824573
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119665126
ethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoate
CID 47462370
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 119565068
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (CID 119521608) is N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is CC(C)c1ncc(Cl)c(C(=O)NC(C)(C)CN)n1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is YYCADYPZCDZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O.ClH/c1-7(2)10-15-5-8(13)9(16-10)11(18)17-12(3,4)6-14;/h5,7H,6,14H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 307.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119521608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).