4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine

C16H30N4 — CID 80994284

IUPAC4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(CC)C(C)CC)c1C
InChIInChI=1S/C16H30N4/c1-7-11-17-15-13(6)16(19-14(9-3)18-15)20(10-4)12(5)8-2/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyPMVZASHDKRNEOL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds8

About 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80994284) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80994284
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(CC)C(C)CC)c1C
InChIInChI=1S/C16H30N4/c1-7-11-17-15-13(6)16(19-14(9-3)18-15)20(10-4)12(5)8-2/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyPMVZASHDKRNEOL-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N,2-triethyl-5-methylpyrimidine-4,6-diamine
CID 103192469
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80983476
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80994284) is 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(CC)nc(N(CC)C(C)CC)c1C.
What is the InChIKey of 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PMVZASHDKRNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-11-17-15-13(6)16(19-14(9-3)18-15)20(10-4)12(5)8-2/h12H,7-11H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80994284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).