5-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C9H10N4O — CID 13058921

IUPAC5-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccco2)c(N)n1
InChIInChI=1S/C9H10N4O/c10-8-6(5-12-9(11)13-8)4-7-2-1-3-14-7/h1-3,5H,4H2,(H4,10,11,12,13)
InChIKeyWIEUKDOUHPXPCT-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.82
Rot. Bonds2

About 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine

5-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 13058921) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID13058921
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccco2)c(N)n1
InChIInChI=1S/C9H10N4O/c10-8-6(5-12-9(11)13-8)4-7-2-1-3-14-7/h1-3,5H,4H2,(H4,10,11,12,13)
InChIKeyWIEUKDOUHPXPCT-UHFFFAOYSA-N
XLogP0.82
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
8-(furan-2-ylmethyl)-N,2-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874173
5-(5-Pyrimidinyl)-2-furancarboxaldehyde
CID 23004866
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3233094
5-(furan-3-yl)-N-phenylpyrimidin-4-amine
CID 3233479
2-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3234792
5-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
CID 3235297
5-(1-Benzofuran-2-yl)pyrimidine-2,4-diamine
CID 44530976

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 13058921) is 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Cc2ccco2)c(N)n1.
What is the InChIKey of 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is WIEUKDOUHPXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-8-6(5-12-9(11)13-8)4-7-2-1-3-14-7/h1-3,5H,4H2,(H4,10,11,12,13).
What are the key properties of 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
5-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 190.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 13058921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).