3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol

C15H29N5O — CID 68953619

IUPAC3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)nc(C)c1CCCN
InChIInChI=1S/C15H29N5O/c1-3-4-6-12(8-10-21)19-14-13(7-5-9-16)11(2)18-15(17)20-14/h12,21H,3-10,16H2,1-2H3,(H3,17,18,19,20)
InChIKeyBZYGSCNXSNOKIH-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.61
Rot. Bonds10

About 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol

3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol (PubChem CID 68953619) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol
PubChem CID68953619
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCCC(CCO)Nc1nc(N)nc(C)c1CCCN
InChIInChI=1S/C15H29N5O/c1-3-4-6-12(8-10-21)19-14-13(7-5-9-16)11(2)18-15(17)20-14/h12,21H,3-10,16H2,1-2H3,(H3,17,18,19,20)
InChIKeyBZYGSCNXSNOKIH-UHFFFAOYSA-N
XLogP1.61
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol?
The IUPAC name of 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol (CID 68953619) is 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol.
What is the SMILES notation for 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol?
The canonical SMILES for 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol is CCCCC(CCO)Nc1nc(N)nc(C)c1CCCN.
What is the InChIKey of 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol?
The InChIKey is BZYGSCNXSNOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-3-4-6-12(8-10-21)19-14-13(7-5-9-16)11(2)18-15(17)20-14/h12,21H,3-10,16H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol?
3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 1.61, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-5-(3-aminopropyl)-6-methylpyrimidin-4-yl]amino]heptan-1-ol is sourced from PubChem (CID 68953619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).