(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C15H17FN6O — CID 97394658

IUPAC(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cnc(N[C@@H]2CO[C@]3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C15H17FN6O/c16-11-7-19-13(20-8-11)21-12-6-15(23-9-12)2-5-22(10-15)14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,19,20,21)/t12-,15+/m0/s1
InChIKeyGVGPKBNTOUOIQZ-SWLSCSKDSA-N
MW316.34 g/mol
LogP1.26
Rot. Bonds3

About (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 97394658) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID97394658
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cnc(N[C@@H]2CO[C@]3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C15H17FN6O/c16-11-7-19-13(20-8-11)21-12-6-15(23-9-12)2-5-22(10-15)14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,19,20,21)/t12-,15+/m0/s1
InChIKeyGVGPKBNTOUOIQZ-SWLSCSKDSA-N
XLogP1.26
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743791
N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131659823
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
9-(5-Fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131662077
7-(5-Fluoropyrimidin-2-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071081
N-[[(3S,3aR,7aR)-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 155902433
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371822
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371823
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371832
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371833

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 97394658) is (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is Fc1cnc(N[C@@H]2CO[C@]3(CCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is GVGPKBNTOUOIQZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H17FN6O/c16-11-7-19-13(20-8-11)21-12-6-15(23-9-12)2-5-22(10-15)14-17-3-1-4-18-14/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,19,20,21)/t12-,15+/m0/s1.
What are the key properties of (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 316.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 97394658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).