2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H31N5O — CID 70707171

IUPAC2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(N3CCOCC3)CCCCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H31N5O/c1-15-13-18(25-19(22-15)16(2)17(3)23-25)21-14-20(7-5-4-6-8-20)24-9-11-26-12-10-24/h13,21H,4-12,14H2,1-3H3
InChIKeyBDDBYAFTXDJWLL-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.10
Rot. Bonds4

About 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70707171) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70707171
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(N3CCOCC3)CCCCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H31N5O/c1-15-13-18(25-19(22-15)16(2)17(3)23-25)21-14-20(7-5-4-6-8-20)24-9-11-26-12-10-24/h13,21H,4-12,14H2,1-3H3
InChIKeyBDDBYAFTXDJWLL-UHFFFAOYSA-N
XLogP3.10
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70707171) is 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2(N3CCOCC3)CCCCC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BDDBYAFTXDJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-13-18(25-19(22-15)16(2)17(3)23-25)21-14-20(7-5-4-6-8-20)24-9-11-26-12-10-24/h13,21H,4-12,14H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 357.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70707171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).