4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine

C16H23N5 — CID 138019723

IUPAC4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine
SMILESCC(C)Cc1cc(N2CCCC2c2ccnn2C)ncn1
InChIInChI=1S/C16H23N5/c1-12(2)9-13-10-16(18-11-17-13)21-8-4-5-15(21)14-6-7-19-20(14)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyLNDQCXKAEJNZHQ-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.75
Rot. Bonds4

About 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine

4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 138019723) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID138019723
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine
SMILESCC(C)Cc1cc(N2CCCC2c2ccnn2C)ncn1
InChIInChI=1S/C16H23N5/c1-12(2)9-13-10-16(18-11-17-13)21-8-4-5-15(21)14-6-7-19-20(14)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3
InChIKeyLNDQCXKAEJNZHQ-UHFFFAOYSA-N
XLogP2.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136847640
4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 124885111
2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
CID 25247982
[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
CID 126848573
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine
CID 138019714
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300724
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
N-methyl-4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110105580

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine (CID 138019723) is 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine is CC(C)Cc1cc(N2CCCC2c2ccnn2C)ncn1.
What is the InChIKey of 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is LNDQCXKAEJNZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)9-13-10-16(18-11-17-13)21-8-4-5-15(21)14-6-7-19-20(14)3/h6-7,10-12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine?
4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 285.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 138019723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).