4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol

C13H24N4O — CID 80852754

IUPAC4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCc1c(NC)ncnc1NC(C)CCCO
InChIInChI=1S/C13H24N4O/c1-4-6-11-12(14-3)15-9-16-13(11)17-10(2)7-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyNBONQKBQAIHHSC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds8

About 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol

4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 80852754) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
PubChem CID80852754
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCc1c(NC)ncnc1NC(C)CCCO
InChIInChI=1S/C13H24N4O/c1-4-6-11-12(14-3)15-9-16-13(11)17-10(2)7-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyNBONQKBQAIHHSC-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
CID 106163035
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol (CID 80852754) is 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol is CCCc1c(NC)ncnc1NC(C)CCCO.
What is the InChIKey of 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is NBONQKBQAIHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-11-12(14-3)15-9-16-13(11)17-10(2)7-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol?
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 80852754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).