N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine

C15H26N4O — CID 79064967

IUPACN-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCNC(c1cncnc1)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H26N4O/c1-4-15(3,19-6-8-20-9-7-19)14(18-5-2)13-10-16-12-17-11-13/h10-12,14,18H,4-9H2,1-3H3
InChIKeyXXDGSTHLKYNVIW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine

N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 79064967) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID79064967
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCNC(c1cncnc1)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H26N4O/c1-4-15(3,19-6-8-20-9-7-19)14(18-5-2)13-10-16-12-17-11-13/h10-12,14,18H,4-9H2,1-3H3
InChIKeyXXDGSTHLKYNVIW-UHFFFAOYSA-N
XLogP1.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine (CID 79064967) is N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine is CCNC(c1cncnc1)C(C)(CC)N1CCOCC1.
What is the InChIKey of N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is XXDGSTHLKYNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-15(3,19-6-8-20-9-7-19)14(18-5-2)13-10-16-12-17-11-13/h10-12,14,18H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine?
N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 79064967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).