N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine

C13H14ClN5O — CID 165133484

IUPACN-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
SMILESCc1ccncn1.O=C(Nc1cc(Cl)ncn1)C1CC1
InChIInChI=1S/C8H8ClN3O.C5H6N2/c9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;1-5-2-3-6-4-7-5/h3-5H,1-2H2,(H,10,11,12,13);2-4H,1H3
InChIKeySEYQRSRTWPCDHT-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.26
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine

N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine (PubChem CID 165133484) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
PubChem CID165133484
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC NameN-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
SMILESCc1ccncn1.O=C(Nc1cc(Cl)ncn1)C1CC1
InChIInChI=1S/C8H8ClN3O.C5H6N2/c9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;1-5-2-3-6-4-7-5/h3-5H,1-2H2,(H,10,11,12,13);2-4H,1H3
InChIKeySEYQRSRTWPCDHT-UHFFFAOYSA-N
XLogP2.26
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-(6-chloropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132393
cis-(1R,3S)-3-amino-N-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 154700196
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 171758758
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
3-amino-N-(6-chloropyrimidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114049450
(1S,6R)-6-[(6-chloropyrimidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114049218
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
hydron;4-methylpyrimidine
CID 174915530
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine?
The IUPAC name of N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine (CID 165133484) is N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine is Cc1ccncn1.O=C(Nc1cc(Cl)ncn1)C1CC1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine?
The InChIKey is SEYQRSRTWPCDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O.C5H6N2/c9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;1-5-2-3-6-4-7-5/h3-5H,1-2H2,(H,10,11,12,13);2-4H,1H3.
What are the key properties of N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine?
N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine has a molecular weight of 291.74 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine is sourced from PubChem (CID 165133484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).