4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine

C15H28N4 — CID 80849332

IUPAC4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(CC)CC(C)CC)n1
InChIInChI=1S/C15H28N4/c1-6-9-16-15-17-13(5)10-14(18-15)19(8-3)11-12(4)7-2/h10,12H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeyJXCRJIQPUBRDKE-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.48
Rot. Bonds8

About 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine

4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80849332) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80849332
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(CC)CC(C)CC)n1
InChIInChI=1S/C15H28N4/c1-6-9-16-15-17-13(5)10-14(18-15)19(8-3)11-12(4)7-2/h10,12H,6-9,11H2,1-5H3,(H,16,17,18)
InChIKeyJXCRJIQPUBRDKE-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774522
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80809962
2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112909105
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80751646
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine (CID 80849332) is 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(CC)CC(C)CC)n1.
What is the InChIKey of 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JXCRJIQPUBRDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-9-16-15-17-13(5)10-14(18-15)19(8-3)11-12(4)7-2/h10,12H,6-9,11H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80849332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).