6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine

C11H12ClN3O — CID 63729632

IUPAC6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)Cc1ccoc1
InChIInChI=1S/C11H12ClN3O/c1-8-10(12)13-7-14-11(8)15(2)5-9-3-4-16-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyAWJZQBQWPAYGEL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine

6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 63729632) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID63729632
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)Cc1ccoc1
InChIInChI=1S/C11H12ClN3O/c1-8-10(12)13-7-14-11(8)15(2)5-9-3-4-16-6-9/h3-4,6-7H,5H2,1-2H3
InChIKeyAWJZQBQWPAYGEL-UHFFFAOYSA-N
XLogP2.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-(furan-3-ylmethyl)-5-methylpyrimidin-4-amine
CID 116378246
2-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
CID 3233499
N-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3234167
4,6-Dichloro-2-(furan-3-yl)pyrimidine
CID 12231059
2-(5-Fluorofuran-3-yl)pyrimidine
CID 135122289
4,6-Dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine
CID 178173715
4-Chloro-2-(furan-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 178173724
4-Chloro-5-fluoro-2-(furan-3-yl)-6-methylpyrimidine
CID 65998243
2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 79081349
4,6-Dichloro-5-fluoro-2-(furan-3-yl)pyrimidine
CID 80550226
5-fluoro-4-N-(furan-3-ylmethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80795159
2-N-ethyl-5-fluoro-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
CID 80795162

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine (CID 63729632) is 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine is Cc1c(Cl)ncnc1N(C)Cc1ccoc1.
What is the InChIKey of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is AWJZQBQWPAYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-10(12)13-7-14-11(8)15(2)5-9-3-4-16-6-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine?
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63729632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).