4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine

C21H28N8 — CID 126891497

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cc2c(N3CCC(N(c4cc(N(C)C)ncn4)C4CC4)CC3)nccn2n1
InChIInChI=1S/C21H28N8/c1-15-12-18-21(22-8-11-28(18)25-15)27-9-6-17(7-10-27)29(16-4-5-16)20-13-19(26(2)3)23-14-24-20/h8,11-14,16-17H,4-7,9-10H2,1-3H3
InChIKeyVEWHEKTWQKPVFQ-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.53
Rot. Bonds5

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126891497) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126891497
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cc2c(N3CCC(N(c4cc(N(C)C)ncn4)C4CC4)CC3)nccn2n1
InChIInChI=1S/C21H28N8/c1-15-12-18-21(22-8-11-28(18)25-15)27-9-6-17(7-10-27)29(16-4-5-16)20-13-19(26(2)3)23-14-24-20/h8,11-14,16-17H,4-7,9-10H2,1-3H3
InChIKeyVEWHEKTWQKPVFQ-UHFFFAOYSA-N
XLogP2.53
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine 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

4-N,4-N-dimethyl-6-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888492
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 126891496
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 171996875
N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155800620
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 126946467
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]oxyethanamine
CID 104734336
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 126891497) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine is Cc1cc2c(N3CCC(N(c4cc(N(C)C)ncn4)C4CC4)CC3)nccn2n1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is VEWHEKTWQKPVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8/c1-15-12-18-21(22-8-11-28(18)25-15)27-9-6-17(7-10-27)29(16-4-5-16)20-13-19(26(2)3)23-14-24-20/h8,11-14,16-17H,4-7,9-10H2,1-3H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 392.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126891497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).