N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C21H30N6O2 — CID 172902455

IUPACN-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(CN2CCC(N(C)c3ccnc(N4CCOCC4)n3)CC2)cn1
InChIInChI=1S/C21H30N6O2/c1-25(19-5-8-22-21(24-19)27-11-13-29-14-12-27)18-6-9-26(10-7-18)16-17-3-4-20(28-2)23-15-17/h3-5,8,15,18H,6-7,9-14,16H2,1-2H3
InChIKeyLBUSCYMJGKHZRX-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.82
Rot. Bonds6

About N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172902455) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172902455
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(CN2CCC(N(C)c3ccnc(N4CCOCC4)n3)CC2)cn1
InChIInChI=1S/C21H30N6O2/c1-25(19-5-8-22-21(24-19)27-11-13-29-14-12-27)18-6-9-26(10-7-18)16-17-3-4-20(28-2)23-15-17/h3-5,8,15,18H,6-7,9-14,16H2,1-2H3
InChIKeyLBUSCYMJGKHZRX-UHFFFAOYSA-N
XLogP1.82
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892594
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901800
N-[1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650362
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902937
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900373
N-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902893
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
N-methyl-2-morpholin-4-yl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902281
5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one
CID 172904093
N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 172902455) is N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(CN2CCC(N(C)c3ccnc(N4CCOCC4)n3)CC2)cn1.
What is the InChIKey of N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LBUSCYMJGKHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-25(19-5-8-22-21(24-19)27-11-13-29-14-12-27)18-6-9-26(10-7-18)16-17-3-4-20(28-2)23-15-17/h3-5,8,15,18H,6-7,9-14,16H2,1-2H3.
What are the key properties of N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 398.51 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172902455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).