6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C16H27N5O — CID 91767768

IUPAC6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCN(CCCN1CCOCC1)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C16H27N5O/c1-20(3-2-4-21-5-7-22-8-6-21)16-11-15(18-12-19-16)13-9-14(17)10-13/h11-14H,2-10,17H2,1H3
InChIKeyASHLACLDALZEFG-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.84
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 91767768) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID91767768
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCN(CCCN1CCOCC1)c1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C16H27N5O/c1-20(3-2-4-21-5-7-22-8-6-21)16-11-15(18-12-19-16)13-9-14(17)10-13/h11-14H,2-10,17H2,1H3
InChIKeyASHLACLDALZEFG-UHFFFAOYSA-N
XLogP0.84
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 91767768) is 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is CN(CCCN1CCOCC1)c1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is ASHLACLDALZEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-20(3-2-4-21-5-7-22-8-6-21)16-11-15(18-12-19-16)13-9-14(17)10-13/h11-14H,2-10,17H2,1H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 91767768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).