trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C13H11Cl2N5O — CID 165131540

IUPACtrans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2nc(Cl)cc(Cl)n2)n1
InChIInChI=1S/C13H11Cl2N5O/c1-6-2-3-16-11(17-6)7-4-8(7)12(21)20-13-18-9(14)5-10(15)19-13/h2-3,5,7-8H,4H2,1H3,(H,18,19,20,21)/t7-,8-/m0/s1
InChIKeyVKUFSXFPJCBMME-YUMQZZPRSA-N
MW324.17 g/mol
LogP2.62
Rot. Bonds3

About trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165131540) has the molecular formula C13H11Cl2N5O and a molecular weight of 324.17 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID165131540
Molecular FormulaC13H11Cl2N5O
Molecular Weight324.17 g/mol
Exact Mass323.03
IUPAC Nametrans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccnc([C@H]2C[C@@H]2C(=O)Nc2nc(Cl)cc(Cl)n2)n1
InChIInChI=1S/C13H11Cl2N5O/c1-6-2-3-16-11(17-6)7-4-8(7)12(21)20-13-18-9(14)5-10(15)19-13/h2-3,5,7-8H,4H2,1H3,(H,18,19,20,21)/t7-,8-/m0/s1
InChIKeyVKUFSXFPJCBMME-YUMQZZPRSA-N
XLogP2.62
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466
cis-(1R,2R)-N-(6-chloropyrimidin-4-yl)-2-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165131941
trans-(1S,2S)-N-[6-chloro-2-(difluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132166
trans-(1S,2S)-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132486
trans-(1S,2S)-N-(6-chloro-2-methylpyrimidin-4-yl)-2-(5-fluoro-4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132578
trans-(1S,2S)-N-(4-chloro-5-fluoropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132731
trans-(1S,2S)-N-[6-chloro-2-(fluoromethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133291
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine
CID 165133352
trans-(1S,2S)-N-(6-chloro-5-fluoropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133440
trans-(1S,2S)-2-[4-(difluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide
CID 167228429
trans-(1S,2S)-N-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 167228672
trans-(1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxamide
CID 167228817

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165131540) is trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2nc(Cl)cc(Cl)n2)n1.
What is the InChIKey of trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is VKUFSXFPJCBMME-YUMQZZPRSA-N. The full InChI is InChI=1S/C13H11Cl2N5O/c1-6-2-3-16-11(17-6)7-4-8(7)12(21)20-13-18-9(14)5-10(15)19-13/h2-3,5,7-8H,4H2,1H3,(H,18,19,20,21)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165131540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).