2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine

C12H19N3 — CID 83857559

IUPAC2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESCC(C)c1nccc(CC2CCNC2)n1
InChIInChI=1S/C12H19N3/c1-9(2)12-14-6-4-11(15-12)7-10-3-5-13-8-10/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyPMQZFJQAEMDCCF-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.75
Rot. Bonds3

About 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine

2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine (PubChem CID 83857559) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
PubChem CID83857559
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESCC(C)c1nccc(CC2CCNC2)n1
InChIInChI=1S/C12H19N3/c1-9(2)12-14-6-4-11(15-12)7-10-3-5-13-8-10/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyPMQZFJQAEMDCCF-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157238992
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
5-cyclopropyl-2-[[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 158085877
N-piperidin-4-yl-2-propan-2-ylpyrimidin-4-amine
CID 83838042
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
2-propan-2-yl-4-propylpyrimidine
CID 58111235
3-[4-(2-methylpropyl)pyrimidin-2-yl]azepane
CID 84697087
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine?
The IUPAC name of 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine (CID 83857559) is 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine?
The canonical SMILES for 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine is CC(C)c1nccc(CC2CCNC2)n1.
What is the InChIKey of 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine?
The InChIKey is PMQZFJQAEMDCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)12-14-6-4-11(15-12)7-10-3-5-13-8-10/h4,6,9-10,13H,3,5,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine?
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine has a molecular weight of 205.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 83857559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).