6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride

C17H31Cl2N5O — CID 154902639

IUPAC6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(NCCCCCN3CCOCC3)ncn2)C1
InChIInChI=1S/C17H29N5O.2ClH/c18-15-10-14(11-15)16-12-17(21-13-20-16)19-4-2-1-3-5-22-6-8-23-9-7-22;;/h12-15H,1-11,18H2,(H,19,20,21);2*1H
InChIKeyFAEQAFZEGGLWEE-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.44
Rot. Bonds8

About 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride (PubChem CID 154902639) has the molecular formula C17H31Cl2N5O and a molecular weight of 392.38 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride
PubChem CID154902639
Molecular FormulaC17H31Cl2N5O
Molecular Weight392.38 g/mol
Exact Mass391.19
IUPAC Name6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(NCCCCCN3CCOCC3)ncn2)C1
InChIInChI=1S/C17H29N5O.2ClH/c18-15-10-14(11-15)16-12-17(21-13-20-16)19-4-2-1-3-5-22-6-8-23-9-7-22;;/h12-15H,1-11,18H2,(H,19,20,21);2*1H
InChIKeyFAEQAFZEGGLWEE-UHFFFAOYSA-N
XLogP2.44
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride (CID 154902639) is 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride is Cl.Cl.NC1CC(c2cc(NCCCCCN3CCOCC3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is FAEQAFZEGGLWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.2ClH/c18-15-10-14(11-15)16-12-17(21-13-20-16)19-4-2-1-3-5-22-6-8-23-9-7-22;;/h12-15H,1-11,18H2,(H,19,20,21);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 392.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(5-morpholin-4-ylpentyl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).