1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine

C9H12N6 — CID 84777868

IUPAC1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1-c1ncc(CN)cn1
InChIInChI=1S/C9H12N6/c1-6-8(11)5-14-15(6)9-12-3-7(2-10)4-13-9/h3-5H,2,10-11H2,1H3
InChIKeyYKKNYDABGRSFGQ-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.01
Rot. Bonds2

About 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine

1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine (PubChem CID 84777868) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine
PubChem CID84777868
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1-c1ncc(CN)cn1
InChIInChI=1S/C9H12N6/c1-6-8(11)5-14-15(6)9-12-3-7(2-10)4-13-9/h3-5H,2,10-11H2,1H3
InChIKeyYKKNYDABGRSFGQ-UHFFFAOYSA-N
XLogP0.01
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(aminomethyl)-2-pyridinyl]-5-methylpyrazol-4-amine
CID 84777337
[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
CID 62757844
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 62797360
[1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 115042606
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
CID 62757845
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
[2-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-5-yl]methanamine
CID 113388226
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine (CID 84777868) is 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1-c1ncc(CN)cn1.
What is the InChIKey of 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine?
The InChIKey is YKKNYDABGRSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-6-8(11)5-14-15(6)9-12-3-7(2-10)4-13-9/h3-5H,2,10-11H2,1H3.
What are the key properties of 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine?
1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine has a molecular weight of 204.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)pyrimidin-2-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 84777868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).