2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine

C10H11ClN4O — CID 7147199

IUPAC2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCc2ccco2)c1N
InChIInChI=1S/C10H11ClN4O/c1-6-8(12)9(15-10(11)14-6)13-5-7-3-2-4-16-7/h2-4H,5,12H2,1H3,(H,13,14,15)
InChIKeyNNJCFTAYPSQZOH-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.23
Rot. Bonds3

About 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine

2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine (PubChem CID 7147199) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
PubChem CID7147199
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCc2ccco2)c1N
InChIInChI=1S/C10H11ClN4O/c1-6-8(12)9(15-10(11)14-6)13-5-7-3-2-4-16-7/h2-4H,5,12H2,1H3,(H,13,14,15)
InChIKeyNNJCFTAYPSQZOH-UHFFFAOYSA-N
XLogP2.23
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine 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

2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
6-chloro-2-cyclopropyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459286
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
6-[(1R,6R)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644955
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644582

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine (CID 7147199) is 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine is Cc1nc(Cl)nc(NCc2ccco2)c1N.
What is the InChIKey of 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine?
The InChIKey is NNJCFTAYPSQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-8(12)9(15-10(11)14-6)13-5-7-3-2-4-16-7/h2-4H,5,12H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine?
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine has a molecular weight of 238.68 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 7147199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).