N-(furan-2-ylmethyl)pyrimidin-2-amine

C9H9N3O — CID 28514232

IUPACN-(furan-2-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCc2ccco2)nc1
InChIInChI=1S/C9H9N3O/c1-3-8(13-6-1)7-12-9-10-4-2-5-11-9/h1-6H,7H2,(H,10,11,12)
InChIKeyKFYFFVIKDKJLHP-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.68
Rot. Bonds3

About N-(furan-2-ylmethyl)pyrimidin-2-amine

N-(furan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 28514232) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)pyrimidin-2-amine
PubChem CID28514232
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-(furan-2-ylmethyl)pyrimidin-2-amine
SMILESc1cnc(NCc2ccco2)nc1
InChIInChI=1S/C9H9N3O/c1-3-8(13-6-1)7-12-9-10-4-2-5-11-9/h1-6H,7H2,(H,10,11,12)
InChIKeyKFYFFVIKDKJLHP-UHFFFAOYSA-N
XLogP1.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)pyrimidin-2-amine 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

3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784
2-chloro-N-(furan-2-ylmethyl)pyridin-3-amine
CID 43689872
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667
N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 171989155
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
furan-2-ylmethylhydrazine;dihydrochloride
CID 53402165
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)pyrimidin-2-amine (CID 28514232) is N-(furan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)pyrimidin-2-amine is c1cnc(NCc2ccco2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is KFYFFVIKDKJLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-3-8(13-6-1)7-12-9-10-4-2-5-11-9/h1-6H,7H2,(H,10,11,12).
What are the key properties of N-(furan-2-ylmethyl)pyrimidin-2-amine?
N-(furan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 28514232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).