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

C9H11N5 — CID 62958563

IUPAC4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
SMILESCc1ccnc(NCc2cn[nH]c2)n1
InChIInChI=1S/C9H11N5/c1-7-2-3-10-9(14-7)11-4-8-5-12-13-6-8/h2-3,5-6H,4H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyRQTWHRPMSJETKI-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds3

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

4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 62958563) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID62958563
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
SMILESCc1ccnc(NCc2cn[nH]c2)n1
InChIInChI=1S/C9H11N5/c1-7-2-3-10-9(14-7)11-4-8-5-12-13-6-8/h2-3,5-6H,4H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyRQTWHRPMSJETKI-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-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 61000619
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 62784731
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
N-[[4-(difluoromethyl)phenyl]methyl]-4-methylpyrimidin-2-amine
CID 133474574
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
N-(2-methoxy-2-methylpropyl)-4-methylpyrimidin-2-amine
CID 115658471
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
5-methoxy-N-(1H-pyrazol-4-ylmethyl)pyridin-2-amine
CID 103802199
3-methyl-5-N-(1H-pyrazol-4-ylmethyl)isoquinoline-5,8-diamine
CID 102713215
2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 82681088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine (CID 62958563) is 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine is Cc1ccnc(NCc2cn[nH]c2)n1.
What is the InChIKey of 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is RQTWHRPMSJETKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-2-3-10-9(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 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine?
4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-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 4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 62958563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).