(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine

C12H17FN4 — CID 163874567

IUPAC(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine
SMILESCC1Cc2nc(F)nc(N)c2/N=C\CC[C@H]1C
InChIInChI=1S/C12H17FN4/c1-7-4-3-5-15-10-9(6-8(7)2)16-12(13)17-11(10)14/h5,7-8H,3-4,6H2,1-2H3,(H2,14,16,17)/b15-5-/t7-,8?/m1/s1
InChIKeyPNTIXLYIBPJNMQ-QLOWEUIRSA-N
MW236.29 g/mol
LogP2.51
Rot. Bonds

About (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine

(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine (PubChem CID 163874567) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine.

Molecular Properties

Compound Name(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine
PubChem CID163874567
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine
SMILESCC1Cc2nc(F)nc(N)c2/N=C\CC[C@H]1C
InChIInChI=1S/C12H17FN4/c1-7-4-3-5-15-10-9(6-8(7)2)16-12(13)17-11(10)14/h5,7-8H,3-4,6H2,1-2H3,(H2,14,16,17)/b15-5-/t7-,8?/m1/s1
InChIKeyPNTIXLYIBPJNMQ-QLOWEUIRSA-N
XLogP2.51
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine?
The IUPAC name of (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine (CID 163874567) is (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine.
What is the SMILES notation for (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine?
The canonical SMILES for (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine is CC1Cc2nc(F)nc(N)c2/N=C\CC[C@H]1C.
What is the InChIKey of (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine?
The InChIKey is PNTIXLYIBPJNMQ-QLOWEUIRSA-N. The full InChI is InChI=1S/C12H17FN4/c1-7-4-3-5-15-10-9(6-8(7)2)16-12(13)17-11(10)14/h5,7-8H,3-4,6H2,1-2H3,(H2,14,16,17)/b15-5-/t7-,8?/m1/s1.
What are the key properties of (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine?
(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine has a molecular weight of 236.29 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine is sourced from PubChem (CID 163874567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).