N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C19H27N5O — CID 136905287

IUPACN-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESc1cc2n(n1)C[C@@H](CNCc1ccc(OC3CCCCC3)nc1)CN2
InChIInChI=1S/C19H27N5O/c1-2-4-17(5-3-1)25-19-7-6-15(12-22-19)10-20-11-16-13-21-18-8-9-23-24(18)14-16/h6-9,12,16-17,20-21H,1-5,10-11,13-14H2/t16-/m0/s1
InChIKeyXSIKLTLLEAOBLE-INIZCTEOSA-N
MW341.46 g/mol
LogP2.82
Rot. Bonds6

About N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine

N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 136905287) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID136905287
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESc1cc2n(n1)C[C@@H](CNCc1ccc(OC3CCCCC3)nc1)CN2
InChIInChI=1S/C19H27N5O/c1-2-4-17(5-3-1)25-19-7-6-15(12-22-19)10-20-11-16-13-21-18-8-9-23-24(18)14-16/h6-9,12,16-17,20-21H,1-5,10-11,13-14H2/t16-/m0/s1
InChIKeyXSIKLTLLEAOBLE-INIZCTEOSA-N
XLogP2.82
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
CID 51136058
CID 51136058
1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 166187417
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136713538
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136755501
N-methyl-N-propan-2-yl-4-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
CID 136905628
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905195
3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030447
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-8-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 167917235
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
CID 136877397
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111595425
2-(4-pyrazol-1-ylphenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905556

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 136905287) is N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is c1cc2n(n1)C[C@@H](CNCc1ccc(OC3CCCCC3)nc1)CN2.
What is the InChIKey of N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is XSIKLTLLEAOBLE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-4-17(5-3-1)25-19-7-6-15(12-22-19)10-20-11-16-13-21-18-8-9-23-24(18)14-16/h6-9,12,16-17,20-21H,1-5,10-11,13-14H2/t16-/m0/s1.
What are the key properties of N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 136905287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).