4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

C19H23N7 — CID 50979339

IUPAC4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc(N)n1
InChIInChI=1S/C19H23N7/c1-15-13-18(23-19(20)22-15)25-11-9-24(10-12-25)14-16-3-5-17(6-4-16)26-8-2-7-21-26/h2-8,13H,9-12,14H2,1H3,(H2,20,22,23)
InChIKeyPSUWXRZAUOOVJM-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.88
Rot. Bonds4

About 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 50979339) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID50979339
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc(N)n1
InChIInChI=1S/C19H23N7/c1-15-13-18(23-19(20)22-15)25-11-9-24(10-12-25)14-16-3-5-17(6-4-16)26-8-2-7-21-26/h2-8,13H,9-12,14H2,1H3,(H2,20,22,23)
InChIKeyPSUWXRZAUOOVJM-UHFFFAOYSA-N
XLogP1.88
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 146088403
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 17496707
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 56810604
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 3228744
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 146074504
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 30746046
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 50979339) is 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is PSUWXRZAUOOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-15-13-18(23-19(20)22-15)25-11-9-24(10-12-25)14-16-3-5-17(6-4-16)26-8-2-7-21-26/h2-8,13H,9-12,14H2,1H3,(H2,20,22,23).
What are the key properties of 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 50979339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).