4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine

C14H27N5 — CID 80846411

IUPAC4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)C(CC)CC)nc(N)n1
InChIInChI=1S/C14H27N5/c1-5-8-16-12-9-13(19-14(15)18-12)17-10(4)11(6-2)7-3/h9-11H,5-8H2,1-4H3,(H4,15,16,17,18,19)
InChIKeyWHYDKKRKUCNFFC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.12
Rot. Bonds8

About 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80846411) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80846411
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)C(CC)CC)nc(N)n1
InChIInChI=1S/C14H27N5/c1-5-8-16-12-9-13(19-14(15)18-12)17-10(4)11(6-2)7-3/h9-11H,5-8H2,1-4H3,(H4,15,16,17,18,19)
InChIKeyWHYDKKRKUCNFFC-UHFFFAOYSA-N
XLogP3.12
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80850772
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
2-cyclopropyl-4-N-(3-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960990
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80772094
4-N-(3-methylpentan-2-yl)pyrimidine-2,4,6-triamine
CID 80804259

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80846411) is 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC(C)C(CC)CC)nc(N)n1.
What is the InChIKey of 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is WHYDKKRKUCNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-8-16-12-9-13(19-14(15)18-12)17-10(4)11(6-2)7-3/h9-11H,5-8H2,1-4H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 265.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80846411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).