6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine

C17H24N4 — CID 80980846

IUPAC6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCCc2ccccc2)c1C
InChIInChI=1S/C17H24N4/c1-12(2)15-20-16(18-4)13(3)17(21-15)19-11-10-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyPICBKTMMUSCOHM-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.60
Rot. Bonds6

About 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80980846) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80980846
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCCc2ccccc2)c1C
InChIInChI=1S/C17H24N4/c1-12(2)15-20-16(18-4)13(3)17(21-15)19-11-10-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyPICBKTMMUSCOHM-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80980846) is 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCCc2ccccc2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PICBKTMMUSCOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)15-20-16(18-4)13(3)17(21-15)19-11-10-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).