3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol

C13H24N4O — CID 80852382

IUPAC3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCCc1c(N)ncnc1NCC(CC)CCO
InChIInChI=1S/C13H24N4O/c1-3-5-11-12(14)16-9-17-13(11)15-8-10(4-2)6-7-18/h9-10,18H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyDGFFPQAMHURMAA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds8

About 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol

3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 80852382) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID80852382
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCCc1c(N)ncnc1NCC(CC)CCO
InChIInChI=1S/C13H24N4O/c1-3-5-11-12(14)16-9-17-13(11)15-8-10(4-2)6-7-18/h9-10,18H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyDGFFPQAMHURMAA-UHFFFAOYSA-N
XLogP1.83
TPSA84.06 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 ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 80852382) is 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol is CCCc1c(N)ncnc1NCC(CC)CCO.
What is the InChIKey of 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is DGFFPQAMHURMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-11-12(14)16-9-17-13(11)15-8-10(4-2)6-7-18/h9-10,18H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 80852382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).