4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine

C17H24N4 — CID 112863444

IUPAC4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C17H24N4/c1-3-21(4-2)17-13-16(19-14-20-17)18-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,18,19,20)
InChIKeyKDHHGNJZTMYJRZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.37
Rot. Bonds8

About 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine

4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 112863444) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID112863444
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C17H24N4/c1-3-21(4-2)17-13-16(19-14-20-17)18-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,18,19,20)
InChIKeyKDHHGNJZTMYJRZ-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112873142
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863632
4-N-(3-methylphenyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863578
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
4-N-benzyl-4-N-ethyl-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860053
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine (CID 112863444) is 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine is CCN(CC)c1cc(NCCCc2ccccc2)ncn1.
What is the InChIKey of 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is KDHHGNJZTMYJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-21(4-2)17-13-16(19-14-20-17)18-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,3-4,8,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).