4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H30N4O — CID 80983477

IUPAC4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(N(CC)C(C)COC)c1C
InChIInChI=1S/C16H30N4O/c1-8-17-15-13(6)16(19-14(18-15)11(3)4)20(9-2)12(5)10-21-7/h11-12H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyUAEYKAOEYGUZBF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.20
Rot. Bonds8

About 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80983477) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80983477
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(N(CC)C(C)COC)c1C
InChIInChI=1S/C16H30N4O/c1-8-17-15-13(6)16(19-14(18-15)11(3)4)20(9-2)12(5)10-21-7/h11-12H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyUAEYKAOEYGUZBF-UHFFFAOYSA-N
XLogP3.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
2-tert-butyl-N-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-5-methylpyrimidin-4-amine
CID 81006164
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993169
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995028
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
CID 103192469
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471199

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80983477) is 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(N(CC)C(C)COC)c1C.
What is the InChIKey of 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UAEYKAOEYGUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-8-17-15-13(6)16(19-14(18-15)11(3)4)20(9-2)12(5)10-21-7/h11-12H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-4-N-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).