N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide

C16H20ClN5O2 — CID 166834503

IUPACN-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide
SMILESCc1cc(NCCCO)nc(NCC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN5O2/c1-11-9-14(18-7-2-8-23)22-16(20-11)19-10-15(24)21-13-5-3-12(17)4-6-13/h3-6,9,23H,2,7-8,10H2,1H3,(H,21,24)(H2,18,19,20,22)
InChIKeyLBWCRPVXWUCWFQ-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.28
Rot. Bonds8

About N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide

N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide (PubChem CID 166834503) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide
PubChem CID166834503
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide
SMILESCc1cc(NCCCO)nc(NCC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN5O2/c1-11-9-14(18-7-2-8-23)22-16(20-11)19-10-15(24)21-13-5-3-12(17)4-6-13/h3-6,9,23H,2,7-8,10H2,1H3,(H,21,24)(H2,18,19,20,22)
InChIKeyLBWCRPVXWUCWFQ-UHFFFAOYSA-N
XLogP2.28
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911795
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482
1-(3-chloro-4-fluorophenyl)-3-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]urea
CID 122325314
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
4-[[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194294
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide (CID 166834503) is N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide is Cc1cc(NCCCO)nc(NCC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide?
The InChIKey is LBWCRPVXWUCWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-11-9-14(18-7-2-8-23)22-16(20-11)19-10-15(24)21-13-5-3-12(17)4-6-13/h3-6,9,23H,2,7-8,10H2,1H3,(H,21,24)(H2,18,19,20,22).
What are the key properties of N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide?
N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[4-(3-hydroxypropylamino)-6-methylpyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 166834503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).