6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine

C17H24ClN3O — CID 133421176

IUPAC6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
SMILESClc1cc(NC2CCOC3(CCCCC3)C2)nc(C2CC2)n1
InChIInChI=1S/C17H24ClN3O/c18-14-10-15(21-16(20-14)12-4-5-12)19-13-6-9-22-17(11-13)7-2-1-3-8-17/h10,12-13H,1-9,11H2,(H,19,20,21)
InChIKeyHTAHVNDJCSYLKE-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.30
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine (PubChem CID 133421176) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
PubChem CID133421176
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
SMILESClc1cc(NC2CCOC3(CCCCC3)C2)nc(C2CC2)n1
InChIInChI=1S/C17H24ClN3O/c18-14-10-15(21-16(20-14)12-4-5-12)19-13-6-9-22-17(11-13)7-2-1-3-8-17/h10,12-13H,1-9,11H2,(H,19,20,21)
InChIKeyHTAHVNDJCSYLKE-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-2-carbonitrile
CID 84589069
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
6-chloro-2-cyclopropyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82463101
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132
7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133378078
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 80951663

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine (CID 133421176) is 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine is Clc1cc(NC2CCOC3(CCCCC3)C2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
The InChIKey is HTAHVNDJCSYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-14-10-15(21-16(20-14)12-4-5-12)19-13-6-9-22-17(11-13)7-2-1-3-8-17/h10,12-13H,1-9,11H2,(H,19,20,21).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine has a molecular weight of 321.85 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 133421176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).