1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine

C9H11N5 — CID 114552607

IUPAC1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
SMILESCc1c(-c2ncccn2)nn(C)c1N
InChIInChI=1S/C9H11N5/c1-6-7(13-14(2)8(6)10)9-11-4-3-5-12-9/h3-5H,10H2,1-2H3
InChIKeyVLOFZEVQXYDDLY-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.77
Rot. Bonds1

About 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine

1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine (PubChem CID 114552607) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
PubChem CID114552607
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
SMILESCc1c(-c2ncccn2)nn(C)c1N
InChIInChI=1S/C9H11N5/c1-6-7(13-14(2)8(6)10)9-11-4-3-5-12-9/h3-5H,10H2,1-2H3
InChIKeyVLOFZEVQXYDDLY-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine
CID 164645305
4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552622
4-(2-fluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552624
1,4-dimethyl-3-(1-methylindazol-3-yl)pyrazol-5-amine
CID 103118715
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
3-(3-bromo-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 104853069
3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 113396503
3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
CID 43336628
1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
2-methylpyrazolo[4,3-b]pyridin-3-amine
CID 67783033
3-(2,5-dichlorophenyl)-1,4-dimethylpyrazol-5-amine
CID 43158813
3-(5-bromothiophen-3-yl)-1,4-dimethylpyrazol-5-amine
CID 107962627

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine?
The IUPAC name of 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine (CID 114552607) is 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine.
What is the SMILES notation for 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine?
The canonical SMILES for 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine is Cc1c(-c2ncccn2)nn(C)c1N.
What is the InChIKey of 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine?
The InChIKey is VLOFZEVQXYDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-7(13-14(2)8(6)10)9-11-4-3-5-12-9/h3-5H,10H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine?
1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 114552607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).