6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine

C14H22N4O — CID 91771634

IUPAC6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESNC1CC(c2cc(NCC3CCOCC3)ncn2)C1
InChIInChI=1S/C14H22N4O/c15-12-5-11(6-12)13-7-14(18-9-17-13)16-8-10-1-3-19-4-2-10/h7,9-12H,1-6,8,15H2,(H,16,17,18)
InChIKeyDXMVLCWPGJNVJZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.52
Rot. Bonds4

About 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine (PubChem CID 91771634) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine
PubChem CID91771634
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESNC1CC(c2cc(NCC3CCOCC3)ncn2)C1
InChIInChI=1S/C14H22N4O/c15-12-5-11(6-12)13-7-14(18-9-17-13)16-8-10-1-3-19-4-2-10/h7,9-12H,1-6,8,15H2,(H,16,17,18)
InChIKeyDXMVLCWPGJNVJZ-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine (CID 91771634) is 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine is NC1CC(c2cc(NCC3CCOCC3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is DXMVLCWPGJNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-5-11(6-12)13-7-14(18-9-17-13)16-8-10-1-3-19-4-2-10/h7,9-12H,1-6,8,15H2,(H,16,17,18).
What are the key properties of 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(oxan-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 91771634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).