5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride

C13H24Cl2N4O — CID 154903330

IUPAC5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(NCCCCCO)ncn2)C1
InChIInChI=1S/C13H22N4O.2ClH/c14-11-6-10(7-11)12-8-13(17-9-16-12)15-4-2-1-3-5-18;;/h8-11,18H,1-7,14H2,(H,15,16,17);2*1H
InChIKeyPMUMTMWIMNRLFK-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.10
Rot. Bonds7

About 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride

5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride (PubChem CID 154903330) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride.

Molecular Properties

Compound Name5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
PubChem CID154903330
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(NCCCCCO)ncn2)C1
InChIInChI=1S/C13H22N4O.2ClH/c14-11-6-10(7-11)12-8-13(17-9-16-12)15-4-2-1-3-5-18;;/h8-11,18H,1-7,14H2,(H,15,16,17);2*1H
InChIKeyPMUMTMWIMNRLFK-UHFFFAOYSA-N
XLogP2.10
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride?
The IUPAC name of 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride (CID 154903330) is 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride.
What is the SMILES notation for 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride?
The canonical SMILES for 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride is Cl.Cl.NC1CC(c2cc(NCCCCCO)ncn2)C1.
What is the InChIKey of 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride?
The InChIKey is PMUMTMWIMNRLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c14-11-6-10(7-11)12-8-13(17-9-16-12)15-4-2-1-3-5-18;;/h8-11,18H,1-7,14H2,(H,15,16,17);2*1H.
What are the key properties of 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride?
5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride is sourced from PubChem (CID 154903330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).