7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C14H22N4O2 — CID 115973506

IUPAC7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCc1cc(OC(C)C)nc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C14H22N4O2/c1-7(2)20-10-6-8(3)16-14(17-10)18-12-11(15)9-4-5-19-13(9)12/h6-7,9,11-13H,4-5,15H2,1-3H3,(H,16,17,18)
InChIKeyMVCUMHYSSJCGRL-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.10
Rot. Bonds4

About 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 115973506) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID115973506
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCc1cc(OC(C)C)nc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C14H22N4O2/c1-7(2)20-10-6-8(3)16-14(17-10)18-12-11(15)9-4-5-19-13(9)12/h6-7,9,11-13H,4-5,15H2,1-3H3,(H,16,17,18)
InChIKeyMVCUMHYSSJCGRL-UHFFFAOYSA-N
XLogP1.10
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 115973506) is 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is Cc1cc(OC(C)C)nc(NC2C(N)C3CCOC32)n1.
What is the InChIKey of 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is MVCUMHYSSJCGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-7(2)20-10-6-8(3)16-14(17-10)18-12-11(15)9-4-5-19-13(9)12/h6-7,9,11-13H,4-5,15H2,1-3H3,(H,16,17,18).
What are the key properties of 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 115973506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).