4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine

C17H18N4O — CID 112889343

IUPAC4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H18N4O/c1-2-21(14-7-4-3-5-8-14)16-10-11-18-17(20-16)19-13-15-9-6-12-22-15/h3-12H,2,13H2,1H3,(H,18,19,20)
InChIKeyXFJZIHCLOKQWHM-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.84
Rot. Bonds6

About 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine

4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112889343) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112889343
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H18N4O/c1-2-21(14-7-4-3-5-8-14)16-10-11-18-17(20-16)19-13-15-9-6-12-22-15/h3-12H,2,13H2,1H3,(H,18,19,20)
InChIKeyXFJZIHCLOKQWHM-UHFFFAOYSA-N
XLogP3.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
6-(N-ethylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346373
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112895278
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
N-[4-(diethylamino)phenyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303374
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902908
5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947355

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine (CID 112889343) is 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is XFJZIHCLOKQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-21(14-7-4-3-5-8-14)16-10-11-18-17(20-16)19-13-15-9-6-12-22-15/h3-12H,2,13H2,1H3,(H,18,19,20).
What are the key properties of 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112889343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).