(4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone

C22H29N7O — CID 165415377

IUPAC(4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
SMILESO=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H29N7O/c30-22(29-10-8-28(9-11-29)18-4-2-1-3-5-18)20-21(26-17-12-23-15-24-13-17)25-14-19(27-20)16-6-7-16/h12-16,18H,1-11H2,(H,25,26)
InChIKeyUIUIXFFFQNXVTG-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.98
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone (PubChem CID 165415377) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
PubChem CID165415377
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
SMILESO=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H29N7O/c30-22(29-10-8-28(9-11-29)18-4-2-1-3-5-18)20-21(26-17-12-23-15-24-13-17)25-14-19(27-20)16-6-7-16/h12-16,18H,1-11H2,(H,25,26)
InChIKeyUIUIXFFFQNXVTG-UHFFFAOYSA-N
XLogP2.98
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone (CID 165415377) is (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone is O=C(c1nc(C2CC2)cnc1Nc1cncnc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
The InChIKey is UIUIXFFFQNXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c30-22(29-10-8-28(9-11-29)18-4-2-1-3-5-18)20-21(26-17-12-23-15-24-13-17)25-14-19(27-20)16-6-7-16/h12-16,18H,1-11H2,(H,25,26).
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone has a molecular weight of 407.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 165415377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).