2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide

C14H15ClN4O2 — CID 154628278

IUPAC2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
SMILESCOCc1ccccc1CNc1nc(Cl)ncc1C(N)=O
InChIInChI=1S/C14H15ClN4O2/c1-21-8-10-5-3-2-4-9(10)6-17-13-11(12(16)20)7-18-14(15)19-13/h2-5,7H,6,8H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyHRRHXCNFRBODLA-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.99
Rot. Bonds6

About 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide

2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide (PubChem CID 154628278) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
PubChem CID154628278
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
SMILESCOCc1ccccc1CNc1nc(Cl)ncc1C(N)=O
InChIInChI=1S/C14H15ClN4O2/c1-21-8-10-5-3-2-4-9(10)6-17-13-11(12(16)20)7-18-14(15)19-13/h2-5,7H,6,8H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyHRRHXCNFRBODLA-UHFFFAOYSA-N
XLogP1.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628189
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
CID 154628246
ethyl 2-chloro-4-[(2-prop-1-en-2-ylphenyl)methylamino]pyrimidine-5-carboxylate
CID 142587230
4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 114156429
2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
CID 154628232
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 114043687
4-(but-3-enylamino)-2-chloropyrimidine-5-carboxamide
CID 138495192
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 86788660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide (CID 154628278) is 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide is COCc1ccccc1CNc1nc(Cl)ncc1C(N)=O.
What is the InChIKey of 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide?
The InChIKey is HRRHXCNFRBODLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-8-10-5-3-2-4-9(10)6-17-13-11(12(16)20)7-18-14(15)19-13/h2-5,7H,6,8H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide?
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).