2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C18H21Cl2N5O — CID 155089432

IUPAC2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCC2CN)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O/c1-9-14(11-5-3-6-12(19)15(11)20)16(17(22)26)25-18(23-9)24-13-7-2-4-10(13)8-21/h3,5-6,10,13H,2,4,7-8,21H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyKTHIVOHQSNLLMB-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.40
Rot. Bonds5

About 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 155089432) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID155089432
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCC2CN)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5O/c1-9-14(11-5-3-6-12(19)15(11)20)16(17(22)26)25-18(23-9)24-13-7-2-4-10(13)8-21/h3,5-6,10,13H,2,4,7-8,21H2,1H3,(H2,22,26)(H,23,24,25)
InChIKeyKTHIVOHQSNLLMB-UHFFFAOYSA-N
XLogP3.40
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 155089432) is 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1nc(NC2CCCC2CN)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KTHIVOHQSNLLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O/c1-9-14(11-5-3-6-12(19)15(11)20)16(17(22)26)25-18(23-9)24-13-7-2-4-10(13)8-21/h3,5-6,10,13H,2,4,7-8,21H2,1H3,(H2,22,26)(H,23,24,25).
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155089432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).