4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine

C14H17N3O — CID 116898947

IUPAC4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESCc1ccc(-c2ccnc(CC3CCNC3)n2)o1
InChIInChI=1S/C14H17N3O/c1-10-2-3-13(18-10)12-5-7-16-14(17-12)8-11-4-6-15-9-11/h2-3,5,7,11,15H,4,6,8-9H2,1H3
InChIKeyCUYTVCRPIGJNHC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds3

About 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine

4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine (PubChem CID 116898947) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
PubChem CID116898947
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
SMILESCc1ccc(-c2ccnc(CC3CCNC3)n2)o1
InChIInChI=1S/C14H17N3O/c1-10-2-3-13(18-10)12-5-7-16-14(17-12)8-11-4-6-15-9-11/h2-3,5,7,11,15H,4,6,8-9H2,1H3
InChIKeyCUYTVCRPIGJNHC-UHFFFAOYSA-N
XLogP2.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890
[4-(5-methylfuran-2-yl)pyrimidin-2-yl]methanol
CID 116899503
4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901849
2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
CID 116898975
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899196
3-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685076
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
CID 105489460
N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902616
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
CID 83857559

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine (CID 116898947) is 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine is Cc1ccc(-c2ccnc(CC3CCNC3)n2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine?
The InChIKey is CUYTVCRPIGJNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-2-3-13(18-10)12-5-7-16-14(17-12)8-11-4-6-15-9-11/h2-3,5,7,11,15H,4,6,8-9H2,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine?
4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 116898947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).