4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine

C23H31N5 — CID 97202620

IUPAC4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)nc(N)n1
InChIInChI=1S/C23H31N5/c1-17-13-21(26-22(24)25-17)27-11-9-23(10-12-27)14-19(18-5-3-2-4-6-18)15-28(16-23)20-7-8-20/h2-6,13,19-20H,7-12,14-16H2,1H3,(H2,24,25,26)/t19-/m1/s1
InChIKeyGXQGFZHNNNBSGU-LJQANCHMSA-N
MW377.54 g/mol
LogP3.61
Rot. Bonds3

About 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine

4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine (PubChem CID 97202620) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
PubChem CID97202620
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)nc(N)n1
InChIInChI=1S/C23H31N5/c1-17-13-21(26-22(24)25-17)27-11-9-23(10-12-27)14-19(18-5-3-2-4-6-18)15-28(16-23)20-7-8-20/h2-6,13,19-20H,7-12,14-16H2,1H3,(H2,24,25,26)/t19-/m1/s1
InChIKeyGXQGFZHNNNBSGU-LJQANCHMSA-N
XLogP3.61
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-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

2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97208828
4-methyl-6-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]pyrimidin-2-amine
CID 56895668
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
6-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyrimidin-4-amine
CID 97132754
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine
CID 11380197
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine (CID 97202620) is 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C2CC2)C3)nc(N)n1.
What is the InChIKey of 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine?
The InChIKey is GXQGFZHNNNBSGU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N5/c1-17-13-21(26-22(24)25-17)27-11-9-23(10-12-27)14-19(18-5-3-2-4-6-18)15-28(16-23)20-7-8-20/h2-6,13,19-20H,7-12,14-16H2,1H3,(H2,24,25,26)/t19-/m1/s1.
What are the key properties of 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine?
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine has a molecular weight of 377.54 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 97202620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).