N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

C17H20ClN3 — CID 80973741

IUPACN-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C17H20ClN3/c1-3-21(11-13-7-5-4-6-8-13)17-12(2)15(18)19-16(20-17)14-9-10-14/h4-8,14H,3,9-11H2,1-2H3
InChIKeyAAMJMDDDOHNQCI-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.34
Rot. Bonds5

About N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80973741) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80973741
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C17H20ClN3/c1-3-21(11-13-7-5-4-6-8-13)17-12(2)15(18)19-16(20-17)14-9-10-14/h4-8,14H,3,9-11H2,1-2H3
InChIKeyAAMJMDDDOHNQCI-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80973601
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80980118
2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
CID 80971414
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80972496
2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 102389135
6-chloro-2-cyclopropyl-N-(3-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80972239
6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80971759
3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61175356

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80973741) is N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is CCN(Cc1ccccc1)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is AAMJMDDDOHNQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-3-21(11-13-7-5-4-6-8-13)17-12(2)15(18)19-16(20-17)14-9-10-14/h4-8,14H,3,9-11H2,1-2H3.
What are the key properties of N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80973741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).