2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

C9H11N5 — CID 62784731

IUPAC2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCc2cn[nH]c2)n1
InChIInChI=1S/C9H11N5/c1-7-10-3-2-9(14-7)11-4-8-5-12-13-6-8/h2-3,5-6H,4H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyPHKZVAIGPBDILJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds3

About 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 62784731) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID62784731
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nccc(NCc2cn[nH]c2)n1
InChIInChI=1S/C9H11N5/c1-7-10-3-2-9(14-7)11-4-8-5-12-13-6-8/h2-3,5-6H,4H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyPHKZVAIGPBDILJ-UHFFFAOYSA-N
XLogP1.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 62958563
N-(furan-3-ylmethyl)-2-methylpyrimidin-4-amine
CID 115657207
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 61000619
ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine
CID 143029279
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
2-propan-2-yl-N-[3-(1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 138024216
6-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193467
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (CID 62784731) is 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is Cc1nccc(NCc2cn[nH]c2)n1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is PHKZVAIGPBDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-10-3-2-9(14-7)11-4-8-5-12-13-6-8/h2-3,5-6H,4H2,1H3,(H,12,13)(H,10,11,14).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62784731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).