(4-morpholin-4-ylpyrimidin-5-yl)methanamine

C9H14N4O — CID 68698921

IUPAC(4-morpholin-4-ylpyrimidin-5-yl)methanamine
SMILESNCc1cncnc1N1CCOCC1
InChIInChI=1S/C9H14N4O/c10-5-8-6-11-7-12-9(8)13-1-3-14-4-2-13/h6-7H,1-5,10H2
InChIKeyIDGWQCSYHIPNNK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.23
Rot. Bonds2

About (4-morpholin-4-ylpyrimidin-5-yl)methanamine

(4-morpholin-4-ylpyrimidin-5-yl)methanamine (PubChem CID 68698921) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (4-morpholin-4-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-morpholin-4-ylpyrimidin-5-yl)methanamine
PubChem CID68698921
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(4-morpholin-4-ylpyrimidin-5-yl)methanamine
SMILESNCc1cncnc1N1CCOCC1
InChIInChI=1S/C9H14N4O/c10-5-8-6-11-7-12-9(8)13-1-3-14-4-2-13/h6-7H,1-5,10H2
InChIKeyIDGWQCSYHIPNNK-UHFFFAOYSA-N
XLogP-0.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpyrimidin-5-yl)methanamine?
The IUPAC name of (4-morpholin-4-ylpyrimidin-5-yl)methanamine (CID 68698921) is (4-morpholin-4-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-morpholin-4-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for (4-morpholin-4-ylpyrimidin-5-yl)methanamine is NCc1cncnc1N1CCOCC1.
What is the InChIKey of (4-morpholin-4-ylpyrimidin-5-yl)methanamine?
The InChIKey is IDGWQCSYHIPNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-5-8-6-11-7-12-9(8)13-1-3-14-4-2-13/h6-7H,1-5,10H2.
What are the key properties of (4-morpholin-4-ylpyrimidin-5-yl)methanamine?
(4-morpholin-4-ylpyrimidin-5-yl)methanamine has a molecular weight of 194.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 68698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).