6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

C18H26N4 — CID 112864112

IUPAC6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccccc2C(C)C)ncn1
InChIInChI=1S/C18H26N4/c1-4-5-8-11-19-17-12-18(21-13-20-17)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyCGABJSUTHFEVDJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.95
Rot. Bonds8

About 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112864112) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112864112
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccccc2C(C)C)ncn1
InChIInChI=1S/C18H26N4/c1-4-5-8-11-19-17-12-18(21-13-20-17)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyCGABJSUTHFEVDJ-UHFFFAOYSA-N
XLogP4.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112876263
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
4-N-(2,3-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864108
4-N-butan-2-yl-6-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112855546
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112863659
N-pentyl-2-propan-2-ylaniline
CID 29268175
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281

Frequently Asked Questions

What is the IUPAC name of 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112864112) is 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCCCCNc1cc(Nc2ccccc2C(C)C)ncn1.
What is the InChIKey of 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CGABJSUTHFEVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-5-8-11-19-17-12-18(21-13-20-17)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).