[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine

C14H18N4O — CID 103279211

IUPAC[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESCc1cnc(N2CCCC2CN)nc1-c1ccco1
InChIInChI=1S/C14H18N4O/c1-10-9-16-14(18-6-2-4-11(18)8-15)17-13(10)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8,15H2,1H3
InChIKeyYCFITQHTHWODMW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds3

About [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine

[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 103279211) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID103279211
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESCc1cnc(N2CCCC2CN)nc1-c1ccco1
InChIInChI=1S/C14H18N4O/c1-10-9-16-14(18-6-2-4-11(18)8-15)17-13(10)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8,15H2,1H3
InChIKeyYCFITQHTHWODMW-UHFFFAOYSA-N
XLogP1.97
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 58758764
[(2R)-1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 59835024
[1-(5-ethyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279196
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
[1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279221
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
[1-[7-bromo-4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 68741430
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
[1-(5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 83837791
[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279282

Frequently Asked Questions

What is the IUPAC name of [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine (CID 103279211) is [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine is Cc1cnc(N2CCCC2CN)nc1-c1ccco1.
What is the InChIKey of [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is YCFITQHTHWODMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-9-16-14(18-6-2-4-11(18)8-15)17-13(10)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8,15H2,1H3.
What are the key properties of [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).