2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine

C11H13ClN4O — CID 114043650

IUPAC2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCN(Cc1ccco1)c1nc(Cl)ncc1N
InChIInChI=1S/C11H13ClN4O/c1-2-16(7-8-4-3-5-17-8)10-9(13)6-14-11(12)15-10/h3-6H,2,7,13H2,1H3
InChIKeyFNESKUFEUTYFEW-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.33
Rot. Bonds4

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

2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 114043650) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID114043650
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCN(Cc1ccco1)c1nc(Cl)ncc1N
InChIInChI=1S/C11H13ClN4O/c1-2-16(7-8-4-3-5-17-8)10-9(13)6-14-11(12)15-10/h3-6H,2,7,13H2,1H3
InChIKeyFNESKUFEUTYFEW-UHFFFAOYSA-N
XLogP2.33
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
CID 80796190
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80795257
8-N-ethyl-8-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80795560
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80731733
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80896459
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
CID 80629852
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine (CID 114043650) is 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine is CCN(Cc1ccco1)c1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is FNESKUFEUTYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-2-16(7-8-4-3-5-17-8)10-9(13)6-14-11(12)15-10/h3-6H,2,7,13H2,1H3.
What are the key properties of 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine?
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 252.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114043650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).