(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C15H17FN6O — CID 98818294

IUPAC(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cnc(N[C@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1
InChIInChI=1S/C15H17FN6O/c16-11-6-18-14(19-7-11)21-12-5-15(23-8-12)2-4-22(9-15)13-1-3-17-10-20-13/h1,3,6-7,10,12H,2,4-5,8-9H2,(H,18,19,21)/t12-,15-/m1/s1
InChIKeyVMJFDOFAMRDEOX-IUODEOHRSA-N
MW316.34 g/mol
LogP1.26
Rot. Bonds3

About (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 98818294) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID98818294
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cnc(N[C@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1
InChIInChI=1S/C15H17FN6O/c16-11-6-18-14(19-7-11)21-12-5-15(23-8-12)2-4-22(9-15)13-1-3-17-10-20-13/h1,3,6-7,10,12H,2,4-5,8-9H2,(H,18,19,21)/t12-,15-/m1/s1
InChIKeyVMJFDOFAMRDEOX-IUODEOHRSA-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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Launch Full Analysis

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
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
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-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
(3R,5R)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371846
(3S,5R)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371847
(3R,5S)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371848
(3S,5S)-9-(cyclopropylmethyl)-N-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371849

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 98818294) is (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is Fc1cnc(N[C@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1.
What is the InChIKey of (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is VMJFDOFAMRDEOX-IUODEOHRSA-N. The full InChI is InChI=1S/C15H17FN6O/c16-11-6-18-14(19-7-11)21-12-5-15(23-8-12)2-4-22(9-15)13-1-3-17-10-20-13/h1,3,6-7,10,12H,2,4-5,8-9H2,(H,18,19,21)/t12-,15-/m1/s1.
What are the key properties of (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-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 (3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-pyrimidin-4-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 98818294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).