N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine

C17H22N6O2 — CID 124793751

IUPACN-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-15-7-14(21-12-22-15)23-10-17(11-23)4-3-13(9-25-17)8-20-16-18-5-2-6-19-16/h2,5-7,12-13H,3-4,8-11H2,1H3,(H,18,19,20)/t13-/m1/s1
InChIKeyBCNDMGCWYAGZDN-CYBMUJFWSA-N
MW342.40 g/mol
LogP1.37
Rot. Bonds5

About N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine

N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine (PubChem CID 124793751) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
PubChem CID124793751
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)ncn1
InChIInChI=1S/C17H22N6O2/c1-24-15-7-14(21-12-22-15)23-10-17(11-23)4-3-13(9-25-17)8-20-16-18-5-2-6-19-16/h2,5-7,12-13H,3-4,8-11H2,1H3,(H,18,19,20)/t13-/m1/s1
InChIKeyBCNDMGCWYAGZDN-CYBMUJFWSA-N
XLogP1.37
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155839920
2-(6-Methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155863747
N-[[(1R,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 97459895
4-(4-Methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394863
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]ethanamine
CID 62586354
(3R,5R)-7-(6-methoxypyrimidin-4-yl)-N-methyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394697
9-(6-Methoxypyrimidin-4-yl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450973
N-[[(3S,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 97460049
N-[[(1S,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]pyrimidin-2-amine
CID 97461807
(3S)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488265
(3R)-8-(6-methoxypyrimidin-4-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488268
(3R,5S)-7-(6-methoxypyrimidin-4-yl)-N-methyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818326

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine (CID 124793751) is N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine is COc1cc(N2CC3(CC[C@H](CNc4ncccn4)CO3)C2)ncn1.
What is the InChIKey of N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The InChIKey is BCNDMGCWYAGZDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-24-15-7-14(21-12-22-15)23-10-17(11-23)4-3-13(9-25-17)8-20-16-18-5-2-6-19-16/h2,5-7,12-13H,3-4,8-11H2,1H3,(H,18,19,20)/t13-/m1/s1.
What are the key properties of N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 124793751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).