N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C18H27N5O — CID 70785850

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3CCCN(CC4CCCCC4)C3)c12
InChIInChI=1S/C18H27N5O/c1-13-16-17(19-12-20-18(16)24-22-13)21-15-8-5-9-23(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,20,21)
InChIKeyLCDBRHMDYZDYAU-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70785850) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID70785850
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3CCCN(CC4CCCCC4)C3)c12
InChIInChI=1S/C18H27N5O/c1-13-16-17(19-12-20-18(16)24-22-13)21-15-8-5-9-23(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,20,21)
InChIKeyLCDBRHMDYZDYAU-UHFFFAOYSA-N
XLogP3.38
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 95897596
trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 102738836
2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 63276878
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
N-[(3R)-1-ethylpiperidin-3-yl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
CID 171783137
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998123
3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 63277144
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 138053359
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
3-methyl-4-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 70745727
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692302

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 70785850) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NC3CCCN(CC4CCCCC4)C3)c12.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LCDBRHMDYZDYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-16-17(19-12-20-18(16)24-22-13)21-15-8-5-9-23(11-15)10-14-6-3-2-4-7-14/h12,14-15H,2-11H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70785850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).