4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine

C18H24N4 — CID 112907957

IUPAC4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C18H24N4/c1-5-11-19-18-20-15(4)12-17(21-18)22(14(2)3)13-16-9-7-6-8-10-16/h5-10,12,14H,1,11,13H2,2-4H3,(H,19,20,21)
InChIKeyCSMSPGIPXUWHQC-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.80
Rot. Bonds7

About 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112907957) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112907957
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C18H24N4/c1-5-11-19-18-20-15(4)12-17(21-18)22(14(2)3)13-16-9-7-6-8-10-16/h5-10,12,14H,1,11,13H2,2-4H3,(H,19,20,21)
InChIKeyCSMSPGIPXUWHQC-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-benzyl-6-methyl-4-N-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908038
4-N-benzyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882729
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112921209
4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112908809
N-benzyl-4-[(tert-butylamino)methyl]-6-methyl-N-propan-2-ylpyridin-2-amine
CID 113379293
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925053
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
4-N-benzyl-2-N-butyl-2-N,6-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925035
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775316
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112907957) is 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nc(C)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is CSMSPGIPXUWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-5-11-19-18-20-15(4)12-17(21-18)22(14(2)3)13-16-9-7-6-8-10-16/h5-10,12,14H,1,11,13H2,2-4H3,(H,19,20,21).
What are the key properties of 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).