4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine

C16H25N5 — CID 70745253

IUPAC4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)nc(N)n1
InChIInChI=1S/C16H25N5/c1-11-6-15(19-16(17)18-11)21-9-13-4-5-14(10-21)20(8-13)7-12-2-3-12/h6,12-14H,2-5,7-10H2,1H3,(H2,17,18,19)/t13-,14-/m1/s1
InChIKeyLHISOBJQTQENMF-ZIAGYGMSSA-N
MW287.41 g/mol
LogP1.68
Rot. Bonds3

About 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine

4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine (PubChem CID 70745253) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
PubChem CID70745253
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)nc(N)n1
InChIInChI=1S/C16H25N5/c1-11-6-15(19-16(17)18-11)21-9-13-4-5-14(10-21)20(8-13)7-12-2-3-12/h6,12-14H,2-5,7-10H2,1H3,(H2,17,18,19)/t13-,14-/m1/s1
InChIKeyLHISOBJQTQENMF-ZIAGYGMSSA-N
XLogP1.68
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine (CID 70745253) is 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)nc(N)n1.
What is the InChIKey of 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
The InChIKey is LHISOBJQTQENMF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N5/c1-11-6-15(19-16(17)18-11)21-9-13-4-5-14(10-21)20(8-13)7-12-2-3-12/h6,12-14H,2-5,7-10H2,1H3,(H2,17,18,19)/t13-,14-/m1/s1.
What are the key properties of 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine?
4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 70745253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).