6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine

C16H30N4 — CID 102908880

IUPAC6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCC(C(C)C)C(C)C
InChIInChI=1S/C16H30N4/c1-7-8-13-15(17-6)19-10-20-16(13)18-9-14(11(2)3)12(4)5/h10-12,14H,7-9H2,1-6H3,(H2,17,18,19,20)
InChIKeyJODDFKQHPIQFFS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.81
Rot. Bonds8

About 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine

6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 102908880) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
PubChem CID102908880
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCC(C(C)C)C(C)C
InChIInChI=1S/C16H30N4/c1-7-8-13-15(17-6)19-10-20-16(13)18-9-14(11(2)3)12(4)5/h10-12,14H,7-9H2,1-6H3,(H2,17,18,19,20)
InChIKeyJODDFKQHPIQFFS-UHFFFAOYSA-N
XLogP3.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
1,1-difluoro-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propan-2-ol
CID 114094094
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80762442
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine (CID 102908880) is 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCC(C(C)C)C(C)C.
What is the InChIKey of 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is JODDFKQHPIQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-8-13-15(17-6)19-10-20-16(13)18-9-14(11(2)3)12(4)5/h10-12,14H,7-9H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 102908880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).