6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine

C11H14ClN3 — CID 164653582

IUPAC6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine
SMILESClc1cc(NC2CC3(CCC3)C2)ncn1
InChIInChI=1S/C11H14ClN3/c12-9-4-10(14-7-13-9)15-8-5-11(6-8)2-1-3-11/h4,7-8H,1-3,5-6H2,(H,13,14,15)
InChIKeySKNDPMHZALHQLL-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.87
Rot. Bonds2

About 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine

6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine (PubChem CID 164653582) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine
PubChem CID164653582
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine
SMILESClc1cc(NC2CC3(CCC3)C2)ncn1
InChIInChI=1S/C11H14ClN3/c12-9-4-10(14-7-13-9)15-8-5-11(6-8)2-1-3-11/h4,7-8H,1-3,5-6H2,(H,13,14,15)
InChIKeySKNDPMHZALHQLL-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
6-chloro-N-[(1R,2R)-2-methylcyclohexyl]pyrimidin-4-amine
CID 129366089
6-chloro-N-[(1S,2R)-2-methylcyclohexyl]pyrimidin-4-amine
CID 129366087
6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
CID 90249167
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 16876383
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine (CID 164653582) is 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine is Clc1cc(NC2CC3(CCC3)C2)ncn1.
What is the InChIKey of 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine?
The InChIKey is SKNDPMHZALHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-9-4-10(14-7-13-9)15-8-5-11(6-8)2-1-3-11/h4,7-8H,1-3,5-6H2,(H,13,14,15).
What are the key properties of 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine?
6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine has a molecular weight of 223.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-spiro[3.3]heptan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 164653582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).