2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

C21H23N7 — CID 163348410

IUPAC2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc(C2CC2)n1
InChIInChI=1S/C21H23N7/c1-15-14-19(26-20(24-15)17-2-3-17)27-10-12-28(13-11-27)21-23-9-6-18(25-21)16-4-7-22-8-5-16/h4-9,14,17H,2-3,10-13H2,1H3
InChIKeyVWFLDGUBGAJBMF-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 163348410) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID163348410
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc(C2CC2)n1
InChIInChI=1S/C21H23N7/c1-15-14-19(26-20(24-15)17-2-3-17)27-10-12-28(13-11-27)21-23-9-6-18(25-21)16-4-7-22-8-5-16/h4-9,14,17H,2-3,10-13H2,1H3
InChIKeyVWFLDGUBGAJBMF-UHFFFAOYSA-N
XLogP2.84
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (CID 163348410) is 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is VWFLDGUBGAJBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-15-14-19(26-20(24-15)17-2-3-17)27-10-12-28(13-11-27)21-23-9-6-18(25-21)16-4-7-22-8-5-16/h4-9,14,17H,2-3,10-13H2,1H3.
What are the key properties of 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163348410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).