N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

C20H29N7O — CID 171993904

IUPACN-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1cnc(N2CCCC(N(C)c3nccc(N4CCOCC4)n3)C2)nc1
InChIInChI=1S/C20H29N7O/c1-3-16-13-22-19(23-14-16)27-8-4-5-17(15-27)25(2)20-21-7-6-18(24-20)26-9-11-28-12-10-26/h6-7,13-14,17H,3-5,8-12,15H2,1-2H3
InChIKeyCXRUXGPTDHIWSI-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.77
Rot. Bonds5

About N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171993904) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171993904
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1cnc(N2CCCC(N(C)c3nccc(N4CCOCC4)n3)C2)nc1
InChIInChI=1S/C20H29N7O/c1-3-16-13-22-19(23-14-16)27-8-4-5-17(15-27)25(2)20-21-7-6-18(24-20)26-9-11-28-12-10-26/h6-7,13-14,17H,3-5,8-12,15H2,1-2H3
InChIKeyCXRUXGPTDHIWSI-UHFFFAOYSA-N
XLogP1.77
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 171995820
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171997979
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
2-[3-[methyl-(4-morpholin-4-ylpyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171994800
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 172881656
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 172881742
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902625
4-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]morpholine
CID 72853494

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (CID 171993904) is N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is CCc1cnc(N2CCCC(N(C)c3nccc(N4CCOCC4)n3)C2)nc1.
What is the InChIKey of N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CXRUXGPTDHIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-3-16-13-22-19(23-14-16)27-8-4-5-17(15-27)25(2)20-21-7-6-18(24-20)26-9-11-28-12-10-26/h6-7,13-14,17H,3-5,8-12,15H2,1-2H3.
What are the key properties of N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 383.50 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171993904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).