4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine

C15H18N4 — CID 124945029

IUPAC4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CC[C@@H](Cc3cccnc3)C2)ncn1
InChIInChI=1S/C15H18N4/c1-12-7-15(18-11-17-12)19-6-4-14(10-19)8-13-3-2-5-16-9-13/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3/t14-/m0/s1
InChIKeyBNWBIEVWVPJSPR-AWEZNQCLSA-N
MW254.34 g/mol
LogP2.25
Rot. Bonds3

About 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine

4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 124945029) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID124945029
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CC[C@@H](Cc3cccnc3)C2)ncn1
InChIInChI=1S/C15H18N4/c1-12-7-15(18-11-17-12)19-6-4-14(10-19)8-13-3-2-5-16-9-13/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3/t14-/m0/s1
InChIKeyBNWBIEVWVPJSPR-AWEZNQCLSA-N
XLogP2.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 129336018
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
CID 166612775
4-methyl-6-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrimidine
CID 110270901
2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 138048071
5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
CID 175739171
9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713152

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 124945029) is 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine is Cc1cc(N2CC[C@@H](Cc3cccnc3)C2)ncn1.
What is the InChIKey of 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is BNWBIEVWVPJSPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-7-15(18-11-17-12)19-6-4-14(10-19)8-13-3-2-5-16-9-13/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3/t14-/m0/s1.
What are the key properties of 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine?
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 124945029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).