N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride

C17H22Cl2N4O — CID 121292740

IUPACN-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride
SMILESCCCc1cc(N2CCOCC2)nc(Nc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C17H21ClN4O.ClH/c1-2-4-14-12-16(22-7-9-23-10-8-22)21-17(19-14)20-15-6-3-5-13(18)11-15;/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,20,21);1H
InChIKeyGYMFVOYJOGNUCB-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.08
Rot. Bonds5

About N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride

N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride (PubChem CID 121292740) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride
PubChem CID121292740
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC NameN-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride
SMILESCCCc1cc(N2CCOCC2)nc(Nc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C17H21ClN4O.ClH/c1-2-4-14-12-16(22-7-9-23-10-8-22)21-17(19-14)20-15-6-3-5-13(18)11-15;/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,20,21);1H
InChIKeyGYMFVOYJOGNUCB-UHFFFAOYSA-N
XLogP4.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
2-N-(3-chlorophenyl)-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580323
4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
CID 59333833
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766929
1-[2-(3-chloroanilino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194179
(2-morpholin-4-yl-6-propyl-4-pyridinyl)methanol
CID 113380426
methyl 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112912186
4-(aminomethyl)-N-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 58106207
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
N-[(3S)-1-[2-(4-chloro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332116
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride (CID 121292740) is N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride is CCCc1cc(N2CCOCC2)nc(Nc2cccc(Cl)c2)n1.Cl.
What is the InChIKey of N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride?
The InChIKey is GYMFVOYJOGNUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O.ClH/c1-2-4-14-12-16(22-7-9-23-10-8-22)21-17(19-14)20-15-6-3-5-13(18)11-15;/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,20,21);1H.
What are the key properties of N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride?
N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride has a molecular weight of 369.30 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-morpholin-4-yl-6-propylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 121292740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).