2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine

C16H20N4 — CID 112882242

IUPAC2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nccc(NC2CC2)n1
InChIInChI=1S/C16H20N4/c1-2-20(12-13-6-4-3-5-7-13)16-17-11-10-15(19-16)18-14-8-9-14/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,17,18,19)
InChIKeyBNNNMHNYBBBLBO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds6

About 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine

2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 112882242) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
PubChem CID112882242
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nccc(NC2CC2)n1
InChIInChI=1S/C16H20N4/c1-2-20(12-13-6-4-3-5-7-13)16-17-11-10-15(19-16)18-14-8-9-14/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,17,18,19)
InChIKeyBNNNMHNYBBBLBO-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 112893028
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
CID 112932954
2-N-benzyl-4-N-butyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882826
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331
2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889696
2-N-benzyl-2-N-ethyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891362
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
2-N-benzyl-2-N-ethyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893092
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
ethyl 4-[[2-(diethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897729
3-N-benzyl-5-N-(1,1-dioxothiolan-3-yl)-3-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951706

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine (CID 112882242) is 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1nccc(NC2CC2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is BNNNMHNYBBBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-20(12-13-6-4-3-5-7-13)16-17-11-10-15(19-16)18-14-8-9-14/h3-7,10-11,14H,2,8-9,12H2,1H3,(H,17,18,19).
What are the key properties of 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).