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

C14H24Cl2N4O — CID 119665126

IUPACN-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1nc(C(C)C)ncc1Cl.Cl
InChIInChI=1S/C14H23ClN4O.ClH/c1-4-5-6-10(7-16)18-14(20)12-11(15)8-17-13(19-12)9(2)3;/h8-10H,4-7,16H2,1-3H3,(H,18,20);1H
InChIKeyXTIMWGRVKRSACT-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.92
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 119665126) has the molecular formula C14H24Cl2N4O and a molecular weight of 335.28 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
PubChem CID119665126
Molecular FormulaC14H24Cl2N4O
Molecular Weight335.28 g/mol
Exact Mass334.13
IUPAC NameN-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1nc(C(C)C)ncc1Cl.Cl
InChIInChI=1S/C14H23ClN4O.ClH/c1-4-5-6-10(7-16)18-14(20)12-11(15)8-17-13(19-12)9(2)3;/h8-10H,4-7,16H2,1-3H3,(H,18,20);1H
InChIKeyXTIMWGRVKRSACT-UHFFFAOYSA-N
XLogP2.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
ethyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoate
CID 47462370
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62721396
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119521608
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119581566
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 119565068
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (CID 119665126) is N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1nc(C(C)C)ncc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is XTIMWGRVKRSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O.ClH/c1-4-5-6-10(7-16)18-14(20)12-11(15)8-17-13(19-12)9(2)3;/h8-10H,4-7,16H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 335.28 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119665126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).