2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one

C18H27N5O — CID 165426995

IUPAC2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCC[C@H](C4CC4)N2C3)cc(=O)[nH]1
InChIInChI=1S/C18H27N5O/c19-18-20-16(7-17(24)21-18)22-8-11-6-13(10-22)15-3-1-2-14(12-4-5-12)23(15)9-11/h7,11-15H,1-6,8-10H2,(H3,19,20,21,24)/t11-,13+,14+,15-/m0/s1
InChIKeySBHXKGJYFMPNHP-MYPMTAMASA-N
MW329.45 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one

2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one (PubChem CID 165426995) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one
PubChem CID165426995
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCC[C@H](C4CC4)N2C3)cc(=O)[nH]1
InChIInChI=1S/C18H27N5O/c19-18-20-16(7-17(24)21-18)22-8-11-6-13(10-22)15-3-1-2-14(12-4-5-12)23(15)9-11/h7,11-15H,1-6,8-10H2,(H3,19,20,21,24)/t11-,13+,14+,15-/m0/s1
InChIKeySBHXKGJYFMPNHP-MYPMTAMASA-N
XLogP1.44
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one (CID 165426995) is 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one is Nc1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCC[C@H](C4CC4)N2C3)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one?
The InChIKey is SBHXKGJYFMPNHP-MYPMTAMASA-N. The full InChI is InChI=1S/C18H27N5O/c19-18-20-16(7-17(24)21-18)22-8-11-6-13(10-22)15-3-1-2-14(12-4-5-12)23(15)9-11/h7,11-15H,1-6,8-10H2,(H3,19,20,21,24)/t11-,13+,14+,15-/m0/s1.
What are the key properties of 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one?
2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one has a molecular weight of 329.45 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1R,2S,6R,9R)-6-cyclopropyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 165426995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).