6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C18H25N5O2 — CID 126888206

IUPAC6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3noc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C18H25N5O2/c1-24-18-10-17(19-12-20-18)21-13-6-8-23(9-7-13)11-15-14-4-2-3-5-16(14)25-22-15/h10,12-13H,2-9,11H2,1H3,(H,19,20,21)
InChIKeyGHORCZUUYQXVJO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.43
Rot. Bonds5

About 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888206) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888206
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3noc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C18H25N5O2/c1-24-18-10-17(19-12-20-18)21-13-6-8-23(9-7-13)11-15-14-4-2-3-5-16(14)25-22-15/h10,12-13H,2-9,11H2,1H3,(H,19,20,21)
InChIKeyGHORCZUUYQXVJO-UHFFFAOYSA-N
XLogP2.43
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888620
N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891287
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157
6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888174
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
5-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-2-one
CID 126888240
6-methoxy-N-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888305

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126888206) is 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(Cc3noc4c3CCCC4)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is GHORCZUUYQXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-24-18-10-17(19-12-20-18)21-13-6-8-23(9-7-13)11-15-14-4-2-3-5-16(14)25-22-15/h10,12-13H,2-9,11H2,1H3,(H,19,20,21).
What are the key properties of 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).