(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine

C12H14ClN5O — CID 58405006

IUPAC(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine
SMILESNCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C12H14ClN5O/c13-12-16-9-2-1-8(7-14)15-10(9)11(17-12)18-3-5-19-6-4-18/h1-2H,3-7,14H2
InChIKeySEYRTORVHUQETA-UHFFFAOYSA-N
MW279.73 g/mol
LogP0.97
Rot. Bonds2

About (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine

(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine (PubChem CID 58405006) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine
PubChem CID58405006
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine
SMILESNCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C12H14ClN5O/c13-12-16-9-2-1-8(7-14)15-10(9)11(17-12)18-3-5-19-6-4-18/h1-2H,3-7,14H2
InChIKeySEYRTORVHUQETA-UHFFFAOYSA-N
XLogP0.97
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine?
The IUPAC name of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine (CID 58405006) is (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine.
What is the SMILES notation for (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine?
The canonical SMILES for (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine is NCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1.
What is the InChIKey of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine?
The InChIKey is SEYRTORVHUQETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-12-16-9-2-1-8(7-14)15-10(9)11(17-12)18-3-5-19-6-4-18/h1-2H,3-7,14H2.
What are the key properties of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine?
(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine has a molecular weight of 279.73 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl)methanamine is sourced from PubChem (CID 58405006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).