4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C16H30N4O — CID 104767285

IUPAC4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)C)nc(NCC(C)(C)OC)c1C
InChIInChI=1S/C16H30N4O/c1-8-9-17-14-12(4)15(18-10-16(5,6)21-7)20-13(19-14)11(2)3/h11H,8-10H2,1-7H3,(H2,17,18,19,20)
InChIKeyWPIJYFJVCZSELD-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.57
Rot. Bonds8

About 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 104767285) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID104767285
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)C)nc(NCC(C)(C)OC)c1C
InChIInChI=1S/C16H30N4O/c1-8-9-17-14-12(4)15(18-10-16(5,6)21-7)20-13(19-14)11(2)3/h11H,8-10H2,1-7H3,(H2,17,18,19,20)
InChIKeyWPIJYFJVCZSELD-UHFFFAOYSA-N
XLogP3.57
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 104767223
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
4-N-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984651
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80992681
6-(2-methoxyethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80990680

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 104767285) is 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C(C)C)nc(NCC(C)(C)OC)c1C.
What is the InChIKey of 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WPIJYFJVCZSELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-9-17-14-12(4)15(18-10-16(5,6)21-7)20-13(19-14)11(2)3/h11H,8-10H2,1-7H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104767285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).