2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine

C18H22N8 — CID 163354789

IUPAC2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)nc(C)n1
InChIInChI=1S/C18H22N8/c1-13-8-17(22-14(2)21-13)25-4-6-26(7-5-25)18-11-19-10-16(23-18)15-9-20-24(3)12-15/h8-12H,4-7H2,1-3H3
InChIKeySWDGIYUJDIIVQY-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.61
Rot. Bonds3

About 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine

2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine (PubChem CID 163354789) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
PubChem CID163354789
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)nc(C)n1
InChIInChI=1S/C18H22N8/c1-13-8-17(22-14(2)21-13)25-4-6-26(7-5-25)18-11-19-10-16(23-18)15-9-20-24(3)12-15/h8-12H,4-7H2,1-3H3
InChIKeySWDGIYUJDIIVQY-UHFFFAOYSA-N
XLogP1.61
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
CID 163352906
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
5-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 163354824
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352310
6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
CID 163354995
3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163352482
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106715009
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine (CID 163354789) is 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(c3cncc(-c4cnn(C)c4)n3)CC2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine?
The InChIKey is SWDGIYUJDIIVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-13-8-17(22-14(2)21-13)25-4-6-26(7-5-25)18-11-19-10-16(23-18)15-9-20-24(3)12-15/h8-12H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine?
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine has a molecular weight of 350.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163354789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).