N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine

C18H23N5O — CID 124815703

IUPACN-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
SMILESc1ccc(CN2CC3(CC[C@H](CNc4ncccn4)CO3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-2-7-19-16(4-1)11-23-13-18(14-23)6-5-15(12-24-18)10-22-17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-14H2,(H,20,21,22)/t15-/m1/s1
InChIKeyPNBZRHMKBOSACM-OAHLLOKOSA-N
MW325.42 g/mol
LogP1.96
Rot. Bonds5

About N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine

N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine (PubChem CID 124815703) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
PubChem CID124815703
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
SMILESc1ccc(CN2CC3(CC[C@H](CNc4ncccn4)CO3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-2-7-19-16(4-1)11-23-13-18(14-23)6-5-15(12-24-18)10-22-17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-14H2,(H,20,21,22)/t15-/m1/s1
InChIKeyPNBZRHMKBOSACM-OAHLLOKOSA-N
XLogP1.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[2-(1,3-benzodioxol-5-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 131645655
N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 171692919
N-[[(7R)-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 124808874
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 131640403
7-(morpholin-4-ylmethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155833159
[7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(thian-4-yl)methanone
CID 131640546
(4-methyl-1,3-oxazol-5-yl)-[(7R)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124809714
(3,5-dimethyl-1,2-oxazol-4-yl)-[(7S)-7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124834860
9-(pyridin-2-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 134072573
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131678398
3-propan-2-yl-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134070216
(8R)-8-methoxy-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124802664

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine (CID 124815703) is N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine is c1ccc(CN2CC3(CC[C@H](CNc4ncccn4)CO3)C2)nc1.
What is the InChIKey of N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The InChIKey is PNBZRHMKBOSACM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-7-19-16(4-1)11-23-13-18(14-23)6-5-15(12-24-18)10-22-17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-14H2,(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 124815703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).