4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine

C14H22N4 — CID 116898933

IUPAC4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESCN1CCC(c2ccnc(CC3CCCN3)n2)C1
InChIInChI=1S/C14H22N4/c1-18-8-5-11(10-18)13-4-7-16-14(17-13)9-12-3-2-6-15-12/h4,7,11-12,15H,2-3,5-6,8-10H2,1H3
InChIKeyXOLWSJKRWFTTHY-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.19
Rot. Bonds3

About 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine

4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine (PubChem CID 116898933) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
PubChem CID116898933
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESCN1CCC(c2ccnc(CC3CCCN3)n2)C1
InChIInChI=1S/C14H22N4/c1-18-8-5-11(10-18)13-4-7-16-14(17-13)9-12-3-2-6-15-12/h4,7,11-12,15H,2-3,5-6,8-10H2,1H3
InChIKeyXOLWSJKRWFTTHY-UHFFFAOYSA-N
XLogP1.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898480
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054
2-[(4-methylpiperazin-2-yl)methyl]-4-pyridin-4-ylpyrimidine
CID 116901944
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116898301
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
CID 116899105
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
2-methyl-3-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propanoic acid
CID 116900046
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The IUPAC name of 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine (CID 116898933) is 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine is CN1CCC(c2ccnc(CC3CCCN3)n2)C1.
What is the InChIKey of 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The InChIKey is XOLWSJKRWFTTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-18-8-5-11(10-18)13-4-7-16-14(17-13)9-12-3-2-6-15-12/h4,7,11-12,15H,2-3,5-6,8-10H2,1H3.
What are the key properties of 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine?
4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-3-yl)-2-(pyrrolidin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 116898933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).