N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine

C15H26N4O — CID 79665233

IUPACN-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H26N4O/c1-4-5-18-15(13-8-16-11-17-9-13)14-10-19(12(2)3)6-7-20-14/h8-9,11-12,14-15,18H,4-7,10H2,1-3H3
InChIKeySPAHEVYYPDYOAW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.63
Rot. Bonds6

About N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 79665233) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID79665233
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H26N4O/c1-4-5-18-15(13-8-16-11-17-9-13)14-10-19(12(2)3)6-7-20-14/h8-9,11-12,14-15,18H,4-7,10H2,1-3H3
InChIKeySPAHEVYYPDYOAW-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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Related Compounds

3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine
CID 79662633
N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79663833
N-[(2-methylpyrazol-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79662895
N-[(1-ethylimidazol-2-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79665969
N-[(1-ethylpyrazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79663131
N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665970
N-[2-cyclopropyl-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665414
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[cyclopropyl-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79664305
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79663134
N-[2-ethoxy-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79662427
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 79665233) is N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)C1CN(C(C)C)CCO1.
What is the InChIKey of N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is SPAHEVYYPDYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-5-18-15(13-8-16-11-17-9-13)14-10-19(12(2)3)6-7-20-14/h8-9,11-12,14-15,18H,4-7,10H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-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-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 79665233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).