methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine

C17H25N5O3 — CID 143450374

IUPACmethanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
SMILESCNc1nc(OCCc2ccccn2)cc(N2CCOCC2)n1.CO
InChIInChI=1S/C16H21N5O2.CH4O/c1-17-16-19-14(21-7-10-22-11-8-21)12-15(20-16)23-9-5-13-4-2-3-6-18-13;1-2/h2-4,6,12H,5,7-11H2,1H3,(H,17,19,20);2H,1H3
InChIKeyUPUPPZOUODCKEM-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.98
Rot. Bonds6

About methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine

methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine (PubChem CID 143450374) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Namemethanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
PubChem CID143450374
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Namemethanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
SMILESCNc1nc(OCCc2ccccn2)cc(N2CCOCC2)n1.CO
InChIInChI=1S/C16H21N5O2.CH4O/c1-17-16-19-14(21-7-10-22-11-8-21)12-15(20-16)23-9-5-13-4-2-3-6-18-13;1-2/h2-4,6,12H,5,7-11H2,1H3,(H,17,19,20);2H,1H3
InChIKeyUPUPPZOUODCKEM-UHFFFAOYSA-N
XLogP0.98
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060385
N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxamide
CID 11697447
1-(3-methylphenyl)-2-[1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethenyl]hydrazine
CID 89163648
4-(aminomethyl)-N-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 58106207
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060102
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
N-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 58725424
4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 118162383
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
N-[(E)-(2-iodo-4-pyridinyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 172933395
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637

Frequently Asked Questions

What is the IUPAC name of methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
The IUPAC name of methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine (CID 143450374) is methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine.
What is the SMILES notation for methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
The canonical SMILES for methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine is CNc1nc(OCCc2ccccn2)cc(N2CCOCC2)n1.CO.
What is the InChIKey of methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
The InChIKey is UPUPPZOUODCKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.CH4O/c1-17-16-19-14(21-7-10-22-11-8-21)12-15(20-16)23-9-5-13-4-2-3-6-18-13;1-2/h2-4,6,12H,5,7-11H2,1H3,(H,17,19,20);2H,1H3.
What are the key properties of methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine?
methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 143450374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).