4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine

C14H21N3O — CID 97234618

IUPAC4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
SMILESCc1ccnc(N[C@@H]2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C14H21N3O/c1-11-4-8-15-13(16-11)17-12-5-9-18-14(10-12)6-2-3-7-14/h4,8,12H,2-3,5-7,9-10H2,1H3,(H,15,16,17)/t12-/m1/s1
InChIKeyMNKQYDLEDVDOHG-GFCCVEGCSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds2

About 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine

4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine (PubChem CID 97234618) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
PubChem CID97234618
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
SMILESCc1ccnc(N[C@@H]2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C14H21N3O/c1-11-4-8-15-13(16-11)17-12-5-9-18-14(10-12)6-2-3-7-14/h4,8,12H,2-3,5-7,9-10H2,1H3,(H,15,16,17)/t12-/m1/s1
InChIKeyMNKQYDLEDVDOHG-GFCCVEGCSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine
CID 133377929
8-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
(5R,9R)-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477346
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
N-(6-oxaspiro[4.5]decan-9-yl)thieno[3,2-b]pyridin-7-amine
CID 133377793
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine (CID 97234618) is 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine is Cc1ccnc(N[C@@H]2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine?
The InChIKey is MNKQYDLEDVDOHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-8-15-13(16-11)17-12-5-9-18-14(10-12)6-2-3-7-14/h4,8,12H,2-3,5-7,9-10H2,1H3,(H,15,16,17)/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine?
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine is sourced from PubChem (CID 97234618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).