1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine

C12H14N4O — CID 126848521

IUPAC1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3ccoc3)ncn2)C1
InChIInChI=1S/C12H14N4O/c13-10-1-3-16(6-10)12-5-11(14-8-15-12)9-2-4-17-7-9/h2,4-5,7-8,10H,1,3,6,13H2
InChIKeyYZWVVAONPAKKNM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds2

About 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine

1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 126848521) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID126848521
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2cc(-c3ccoc3)ncn2)C1
InChIInChI=1S/C12H14N4O/c13-10-1-3-16(6-10)12-5-11(14-8-15-12)9-2-4-17-7-9/h2,4-5,7-8,10H,1,3,6,13H2
InChIKeyYZWVVAONPAKKNM-UHFFFAOYSA-N
XLogP1.27
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848543
1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665
1-(6-thiophen-2-ylpyrimidin-4-yl)piperidin-4-amine
CID 126848865
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
tert-butyl (3S)-4-[6-(furan-3-yl)pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 126849727
1-[6-[3-(1-ethylcyclopropyl)oxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]pyrimidin-4-yl]pyrrolidin-3-amine
CID 123799137
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine (CID 126848521) is 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine is NC1CCN(c2cc(-c3ccoc3)ncn2)C1.
What is the InChIKey of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is YZWVVAONPAKKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-1-3-16(6-10)12-5-11(14-8-15-12)9-2-4-17-7-9/h2,4-5,7-8,10H,1,3,6,13H2.
What are the key properties of 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 230.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 126848521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).