6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine

C19H31N5O — CID 91777860

IUPAC6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1nc(NC2CCN(C3CCOCC3)CC2)cc(C2CC(N)C2)n1
InChIInChI=1S/C19H31N5O/c1-13-21-18(14-10-15(20)11-14)12-19(22-13)23-16-2-6-24(7-3-16)17-4-8-25-9-5-17/h12,14-17H,2-11,20H2,1H3,(H,21,22,23)
InChIKeyXEUWOGGPPYEURN-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.05
Rot. Bonds4

About 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 91777860) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID91777860
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1nc(NC2CCN(C3CCOCC3)CC2)cc(C2CC(N)C2)n1
InChIInChI=1S/C19H31N5O/c1-13-21-18(14-10-15(20)11-14)12-19(22-13)23-16-2-6-24(7-3-16)17-4-8-25-9-5-17/h12,14-17H,2-11,20H2,1H3,(H,21,22,23)
InChIKeyXEUWOGGPPYEURN-UHFFFAOYSA-N
XLogP2.05
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine (CID 91777860) is 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine is Cc1nc(NC2CCN(C3CCOCC3)CC2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is XEUWOGGPPYEURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-13-21-18(14-10-15(20)11-14)12-19(22-13)23-16-2-6-24(7-3-16)17-4-8-25-9-5-17/h12,14-17H,2-11,20H2,1H3,(H,21,22,23).
What are the key properties of 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 91777860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).