4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine

C20H26N8 — CID 126891496

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3nccn4nccc34)CC2)ncn1
InChIInChI=1S/C20H26N8/c1-25(2)18-13-19(23-14-22-18)28(15-3-4-15)16-6-10-26(11-7-16)20-17-5-8-24-27(17)12-9-21-20/h5,8-9,12-16H,3-4,6-7,10-11H2,1-2H3
InChIKeyUJGWUMSSPCKMNU-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.22
Rot. Bonds5

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 126891496) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID126891496
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3nccn4nccc34)CC2)ncn1
InChIInChI=1S/C20H26N8/c1-25(2)18-13-19(23-14-22-18)28(15-3-4-15)16-6-10-26(11-7-16)20-17-5-8-24-27(17)12-9-21-20/h5,8-9,12-16H,3-4,6-7,10-11H2,1-2H3
InChIKeyUJGWUMSSPCKMNU-UHFFFAOYSA-N
XLogP2.22
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 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) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine is CN(C)c1cc(N(C2CC2)C2CCN(c3nccn4nccc34)CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is UJGWUMSSPCKMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-25(2)18-13-19(23-14-22-18)28(15-3-4-15)16-6-10-26(11-7-16)20-17-5-8-24-27(17)12-9-21-20/h5,8-9,12-16H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 378.48 g/mol, XLogP of 2.22, 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-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 126891496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).