4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine

C19H28N4O — CID 112911971

IUPAC4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCCNc1nc(C)cc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H28N4O/c1-14-13-17(23-18(21-14)20-11-8-12-24-5)22-16-10-7-6-9-15(16)19(2,3)4/h6-7,9-10,13H,8,11-12H2,1-5H3,(H2,20,21,22,23)
InChIKeyMXQWOUSYBBGNQK-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.27
Rot. Bonds7

About 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine

4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112911971) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112911971
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCCNc1nc(C)cc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H28N4O/c1-14-13-17(23-18(21-14)20-11-8-12-24-5)22-16-10-7-6-9-15(16)19(2,3)4/h6-7,9-10,13H,8,11-12H2,1-5H3,(H2,20,21,22,23)
InChIKeyMXQWOUSYBBGNQK-UHFFFAOYSA-N
XLogP4.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-tert-butylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869732
2-[[2-(3-methoxypropylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194573
4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908185
4-N-(2-tert-butylphenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869548
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
4-N-(4-bromo-3-methylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112912026
4-N-(3-methoxypropyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112911848
methyl 4-chloro-3-[[2-(3-methoxypropylamino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112912009
2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912858
4-N-(3-methoxypropyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112911706

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine (CID 112911971) is 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine is COCCCNc1nc(C)cc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is MXQWOUSYBBGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-13-17(23-18(21-14)20-11-8-12-24-5)22-16-10-7-6-9-15(16)19(2,3)4/h6-7,9-10,13H,8,11-12H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112911971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).