N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane

C16H22ClN5O — CID 165132649

IUPACN-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane
SMILESCC.Cc1ccnc(C2CC2)n1.Cc1nc(Cl)cc(NC=O)n1
InChIInChI=1S/C8H10N2.C6H6ClN3O.C2H6/c1-6-4-5-9-8(10-6)7-2-3-7;1-4-9-5(7)2-6(10-4)8-3-11;1-2/h4-5,7H,2-3H2,1H3;2-3H,1H3,(H,8,9,10,11);1-2H3
InChIKeyOFNLRELRZRIAAF-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.70
Rot. Bonds3

About N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane

N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane (PubChem CID 165132649) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane.

Molecular Properties

Compound NameN-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane
PubChem CID165132649
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane
SMILESCC.Cc1ccnc(C2CC2)n1.Cc1nc(Cl)cc(NC=O)n1
InChIInChI=1S/C8H10N2.C6H6ClN3O.C2H6/c1-6-4-5-9-8(10-6)7-2-3-7;1-4-9-5(7)2-6(10-4)8-3-11;1-2/h4-5,7H,2-3H2,1H3;2-3H,1H3,(H,8,9,10,11);1-2H3
InChIKeyOFNLRELRZRIAAF-UHFFFAOYSA-N
XLogP3.70
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-methylpyrimidine;formic acid
CID 165132311
4-(4-methylpyrimidin-2-yl)cyclohexan-1-ol
CID 116901966
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998
trans-(1S,2S)-N-(6-chloropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132393
trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165131540
[3-[6-cyclopropyl-2-[[(6-formamidopyrimidin-4-yl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-2,5-dioxoimidazolidin-1-yl]methyl dihydrogen phosphate;2-cyclopropyl-4-methylpyrimidine
CID 165132279
3-chloro-2-[[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 138021497
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
trans-(1S,2S)-N-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133476
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 136530461
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane?
The IUPAC name of N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane (CID 165132649) is N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane.
What is the SMILES notation for N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane?
The canonical SMILES for N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane is CC.Cc1ccnc(C2CC2)n1.Cc1nc(Cl)cc(NC=O)n1.
What is the InChIKey of N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane?
The InChIKey is OFNLRELRZRIAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C6H6ClN3O.C2H6/c1-6-4-5-9-8(10-6)7-2-3-7;1-4-9-5(7)2-6(10-4)8-3-11;1-2/h4-5,7H,2-3H2,1H3;2-3H,1H3,(H,8,9,10,11);1-2H3.
What are the key properties of N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane?
N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane has a molecular weight of 335.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane is sourced from PubChem (CID 165132649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).