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

C17H24N6O — CID 126887693

IUPACN-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cnn4c3COCC4)CC2)ncn1
InChIInChI=1S/C17H24N6O/c1-13-8-17(19-12-18-13)21-15-2-4-22(5-3-15)10-14-9-20-23-6-7-24-11-16(14)23/h8-9,12,15H,2-7,10-11H2,1H3,(H,18,19,21)
InChIKeyBGNNKILBYUJDSJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.59
Rot. Bonds4

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

N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887693) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887693
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cnn4c3COCC4)CC2)ncn1
InChIInChI=1S/C17H24N6O/c1-13-8-17(19-12-18-13)21-15-2-4-22(5-3-15)10-14-9-20-23-6-7-24-11-16(14)23/h8-9,12,15H,2-7,10-11H2,1H3,(H,18,19,21)
InChIKeyBGNNKILBYUJDSJ-UHFFFAOYSA-N
XLogP1.59
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
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]-N,6-dimethylpyrimidin-4-amine
CID 126889372
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887700
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
6-methyl-N-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887752
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
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
6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887732
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008

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]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887693) is N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-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]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(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]-6-methylpyrimidin-4-amine?
The InChIKey is BGNNKILBYUJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-8-17(19-12-18-13)21-15-2-4-22(5-3-15)10-14-9-20-23-6-7-24-11-16(14)23/h8-9,12,15H,2-7,10-11H2,1H3,(H,18,19,21).
What are the key properties of N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 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]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).