N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide

C13H16ClN5O2 — CID 122158451

IUPACN-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCOCc1ncc(CNC(=O)c2cc(Cl)cn2C)c(N)n1
InChIInChI=1S/C13H16ClN5O2/c1-19-6-9(14)3-10(19)13(20)17-5-8-4-16-11(7-21-2)18-12(8)15/h3-4,6H,5,7H2,1-2H3,(H,17,20)(H2,15,16,18)
InChIKeyNCYPJNGZEHRONK-UHFFFAOYSA-N
MW309.76 g/mol
LogP1.13
Rot. Bonds5

About N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide

N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 122158451) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID122158451
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC NameN-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCOCc1ncc(CNC(=O)c2cc(Cl)cn2C)c(N)n1
InChIInChI=1S/C13H16ClN5O2/c1-19-6-9(14)3-10(19)13(20)17-5-8-4-16-11(7-21-2)18-12(8)15/h3-4,6H,5,7H2,1-2H3,(H,17,20)(H2,15,16,18)
InChIKeyNCYPJNGZEHRONK-UHFFFAOYSA-N
XLogP1.13
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61102561
4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
CID 154796695
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 32831369
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
methyl 2-[4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61018368
N-(2-amino-2-phenylethyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 55177350
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 78985811
4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide (CID 122158451) is N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide is COCc1ncc(CNC(=O)c2cc(Cl)cn2C)c(N)n1.
What is the InChIKey of N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is NCYPJNGZEHRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-19-6-9(14)3-10(19)13(20)17-5-8-4-16-11(7-21-2)18-12(8)15/h3-4,6H,5,7H2,1-2H3,(H,17,20)(H2,15,16,18).
What are the key properties of N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide?
N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 309.76 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 122158451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).