4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80766465

IUPAC4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NC(C)CC)c1C
InChIInChI=1S/C13H24N4/c1-6-8-14-12-10(4)13(15-9(3)7-2)17-11(5)16-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyOFCOFHULXGRVLN-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.13
Rot. Bonds6

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

4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80766465) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80766465
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NC(C)CC)c1C
InChIInChI=1S/C13H24N4/c1-6-8-14-12-10(4)13(15-9(3)7-2)17-11(5)16-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyOFCOFHULXGRVLN-UHFFFAOYSA-N
XLogP3.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80784345

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80766465) is 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NC(C)CC)c1C.
What is the InChIKey of 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OFCOFHULXGRVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-8-14-12-10(4)13(15-9(3)7-2)17-11(5)16-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80766465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).