N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine

C18H26N6O — CID 126889372

IUPACN-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3cnn4c3COCC4)CC2)ncn1
InChIInChI=1S/C18H26N6O/c1-14-9-18(20-13-19-14)22(2)16-3-5-23(6-4-16)11-15-10-21-24-7-8-25-12-17(15)24/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyPHGDMZHBLHVJSH-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.61
Rot. Bonds4

About N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine

N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 126889372) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID126889372
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3cnn4c3COCC4)CC2)ncn1
InChIInChI=1S/C18H26N6O/c1-14-9-18(20-13-19-14)22(2)16-3-5-23(6-4-16)11-15-10-21-24-7-8-25-12-17(15)24/h9-10,13,16H,3-8,11-12H2,1-2H3
InChIKeyPHGDMZHBLHVJSH-UHFFFAOYSA-N
XLogP1.61
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887693
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889379
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889332
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864020
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
CID 126889548
4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 172881585
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (CID 126889372) is N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3cnn4c3COCC4)CC2)ncn1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is PHGDMZHBLHVJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-9-18(20-13-19-14)22(2)16-3-5-23(6-4-16)11-15-10-21-24-7-8-25-12-17(15)24/h9-10,13,16H,3-8,11-12H2,1-2H3.
What are the key properties of N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 126889372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).