3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine

C11H18N4O — CID 83890770

IUPAC3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
SMILESNCCCc1cncnc1N1CCOCC1
InChIInChI=1S/C11H18N4O/c12-3-1-2-10-8-13-9-14-11(10)15-4-6-16-7-5-15/h8-9H,1-7,12H2
InChIKeyKUBWKUOHRRCOQD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.20
Rot. Bonds4

About 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine

3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine (PubChem CID 83890770) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
PubChem CID83890770
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
SMILESNCCCc1cncnc1N1CCOCC1
InChIInChI=1S/C11H18N4O/c12-3-1-2-10-8-13-9-14-11(10)15-4-6-16-7-5-15/h8-9H,1-7,12H2
InChIKeyKUBWKUOHRRCOQD-UHFFFAOYSA-N
XLogP0.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-morpholin-4-ylpyrimidin-5-yl)methanamine
CID 68698921
4-[5-(2-phenylethyl)pyrimidin-4-yl]morpholine;hydrochloride
CID 70170771
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
2-(4-morpholin-4-yl-3-pyridinyl)ethanamine
CID 83883289
3-(2-morpholin-4-yl-4-pyridinyl)propan-1-amine
CID 83890126
3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 170879139
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648
4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine
CID 173140984
4-(5-ethylpyrimidin-4-yl)piperazine-1-carboxylic acid
CID 166794104
4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine
CID 143471171
1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1-[(4-morpholin-4-ylpyrimidin-5-yl)methyl]urea
CID 174548533

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine (CID 83890770) is 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine is NCCCc1cncnc1N1CCOCC1.
What is the InChIKey of 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine?
The InChIKey is KUBWKUOHRRCOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-3-1-2-10-8-13-9-14-11(10)15-4-6-16-7-5-15/h8-9H,1-7,12H2.
What are the key properties of 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine?
3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine has a molecular weight of 222.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 83890770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).