N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

C12H20Cl2N4O — CID 119581566

IUPACN-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)C(C)CN)n1.Cl
InChIInChI=1S/C12H19ClN4O.ClH/c1-7(2)11-15-6-9(13)10(16-11)12(18)17(4)8(3)5-14;/h6-8H,5,14H2,1-4H3;1H
InChIKeyYADSRENCLNPGEX-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.09
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 119581566) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
PubChem CID119581566
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC NameN-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)C(C)CN)n1.Cl
InChIInChI=1S/C12H19ClN4O.ClH/c1-7(2)11-15-6-9(13)10(16-11)12(18)17(4)8(3)5-14;/h6-8H,5,14H2,1-4H3;1H
InChIKeyYADSRENCLNPGEX-UHFFFAOYSA-N
XLogP2.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (CID 119581566) is N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is CC(C)c1ncc(Cl)c(C(=O)N(C)C(C)CN)n1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is YADSRENCLNPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O.ClH/c1-7(2)11-15-6-9(13)10(16-11)12(18)17(4)8(3)5-14;/h6-8H,5,14H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 307.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119581566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).