[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

C14H20N6 — CID 103279191

IUPAC[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESCCn1cc(-c2ccnc(N3CCCC3CN)n2)cn1
InChIInChI=1S/C14H20N6/c1-2-19-10-11(9-17-19)13-5-6-16-14(18-13)20-7-3-4-12(20)8-15/h5-6,9-10,12H,2-4,7-8,15H2,1H3
InChIKeyJXWRNCRLTKHIDM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.29
Rot. Bonds4

About [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 103279191) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID103279191
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESCCn1cc(-c2ccnc(N3CCCC3CN)n2)cn1
InChIInChI=1S/C14H20N6/c1-2-19-10-11(9-17-19)13-5-6-16-14(18-13)20-7-3-4-12(20)8-15/h5-6,9-10,12H,2-4,7-8,15H2,1H3
InChIKeyJXWRNCRLTKHIDM-UHFFFAOYSA-N
XLogP1.29
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278754
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278998
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279291
[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279176
[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279299
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
[1-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279137
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544
[1-(4-cyclohexylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279135
[(2R)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methanamine
CID 97165385
[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279197
2-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116796494

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (CID 103279191) is [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is CCn1cc(-c2ccnc(N3CCCC3CN)n2)cn1.
What is the InChIKey of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is JXWRNCRLTKHIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-19-10-11(9-17-19)13-5-6-16-14(18-13)20-7-3-4-12(20)8-15/h5-6,9-10,12H,2-4,7-8,15H2,1H3.
What are the key properties of [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 272.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).