6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine

C12H18ClN3 — CID 80953834

IUPAC6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCC2CCC2)n1
InChIInChI=1S/C12H18ClN3/c1-8(2)12-15-10(13)6-11(16-12)14-7-9-4-3-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyQRDMOXQXZBYNFM-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.47
Rot. Bonds4

About 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953834) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953834
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCC2CCC2)n1
InChIInChI=1S/C12H18ClN3/c1-8(2)12-15-10(13)6-11(16-12)14-7-9-4-3-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyQRDMOXQXZBYNFM-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
6-chloro-N-(1,4-dithian-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 113489554
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106193946
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine (CID 80953834) is 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NCC2CCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QRDMOXQXZBYNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8(2)12-15-10(13)6-11(16-12)14-7-9-4-3-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).