(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

C16H19FN6O — CID 98813712

IUPAC(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESFc1cnc(N[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H19FN6O/c17-12-8-20-14(21-9-12)22-13-7-16(24-10-13)3-1-6-23(11-16)15-18-4-2-5-19-15/h2,4-5,8-9,13H,1,3,6-7,10-11H2,(H,20,21,22)/t13-,16+/m1/s1
InChIKeyCYCPZSQBLYORDS-CJNGLKHVSA-N
MW330.37 g/mol
LogP1.65
Rot. Bonds3

About (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 98813712) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID98813712
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESFc1cnc(N[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H19FN6O/c17-12-8-20-14(21-9-12)22-13-7-16(24-10-13)3-1-6-23(11-16)15-18-4-2-5-19-15/h2,4-5,8-9,13H,1,3,6-7,10-11H2,(H,20,21,22)/t13-,16+/m1/s1
InChIKeyCYCPZSQBLYORDS-CJNGLKHVSA-N
XLogP1.65
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.65
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
2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-propan-2-yloxan-3-yl)pyrimidin-4-amine
CID 128992298
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
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
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
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162443726
(1R,5S)-3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162702124
2-[(3S,4R)-4-[(2S,4R,6R)-2-ethyl-6-methylpiperidin-4-yl]-3-methoxypiperidin-1-yl]-5-fluoropyrimidine
CID 164141409
2-[(3S)-4-[(2S)-2-ethylpiperidin-4-yl]-3-methoxypiperidin-1-yl]-5-fluoropyrimidine
CID 170004934

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 98813712) is (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is Fc1cnc(N[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is CYCPZSQBLYORDS-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H19FN6O/c17-12-8-20-14(21-9-12)22-13-7-16(24-10-13)3-1-6-23(11-16)15-18-4-2-5-19-15/h2,4-5,8-9,13H,1,3,6-7,10-11H2,(H,20,21,22)/t13-,16+/m1/s1.
What are the key properties of (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 330.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 98813712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).