4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine

C21H31N7 — CID 72927568

IUPAC4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
SMILESCCCc1nc(C)cc(N2CCC(N3CCN(c4cnccn4)CC3)CC2)n1
InChIInChI=1S/C21H31N7/c1-3-4-19-24-17(2)15-20(25-19)27-9-5-18(6-10-27)26-11-13-28(14-12-26)21-16-22-7-8-23-21/h7-8,15-16,18H,3-6,9-14H2,1-2H3
InChIKeyNXOYSRUFGRLDBC-UHFFFAOYSA-N
MW381.53 g/mol
LogP2.32
Rot. Bonds5

About 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine

4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine (PubChem CID 72927568) has the molecular formula C21H31N7 and a molecular weight of 381.53 g/mol. Its IUPAC name is 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
PubChem CID72927568
Molecular FormulaC21H31N7
Molecular Weight381.53 g/mol
Exact Mass381.26
IUPAC Name4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
SMILESCCCc1nc(C)cc(N2CCC(N3CCN(c4cnccn4)CC3)CC2)n1
InChIInChI=1S/C21H31N7/c1-3-4-19-24-17(2)15-20(25-19)27-9-5-18(6-10-27)26-11-13-28(14-12-26)21-16-22-7-8-23-21/h7-8,15-16,18H,3-6,9-14H2,1-2H3
InChIKeyNXOYSRUFGRLDBC-UHFFFAOYSA-N
XLogP2.32
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4R)-1-[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]-4-propan-2-yloxypyrrolidin-3-ol
CID 133135926
N,2,6-trimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyridin-4-amine
CID 166304823
7-(6-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56892294
2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrazine
CID 133315581
3-[[4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 50966965
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
N-methyl-1-(6-methyl-2-propylpyrimidin-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidin-4-amine
CID 72881693
4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 4584167
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine (CID 72927568) is 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine is CCCc1nc(C)cc(N2CCC(N3CCN(c4cnccn4)CC3)CC2)n1.
What is the InChIKey of 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
The InChIKey is NXOYSRUFGRLDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7/c1-3-4-19-24-17(2)15-20(25-19)27-9-5-18(6-10-27)26-11-13-28(14-12-26)21-16-22-7-8-23-21/h7-8,15-16,18H,3-6,9-14H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine?
4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine has a molecular weight of 381.53 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-6-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72927568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).