6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine

C15H15N5O — CID 23646789

IUPAC6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
SMILESNc1cc(C#Cc2ccc(N3CCOCC3)nc2)ncn1
InChIInChI=1S/C15H15N5O/c16-14-9-13(18-11-19-14)3-1-12-2-4-15(17-10-12)20-5-7-21-8-6-20/h2,4,9-11H,5-8H2,(H2,16,18,19)
InChIKeyJYXWRRNNAAOVDR-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.69
Rot. Bonds1

About 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine

6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine (PubChem CID 23646789) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
PubChem CID23646789
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
SMILESNc1cc(C#Cc2ccc(N3CCOCC3)nc2)ncn1
InChIInChI=1S/C15H15N5O/c16-14-9-13(18-11-19-14)3-1-12-2-4-15(17-10-12)20-5-7-21-8-6-20/h2,4,9-11H,5-8H2,(H2,16,18,19)
InChIKeyJYXWRRNNAAOVDR-UHFFFAOYSA-N
XLogP0.69
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
Pyrido[4,3-d]pyrimidine deriv. 4r
CID 5328328

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine (CID 23646789) is 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine is Nc1cc(C#Cc2ccc(N3CCOCC3)nc2)ncn1.
What is the InChIKey of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
The InChIKey is JYXWRRNNAAOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-14-9-13(18-11-19-14)3-1-12-2-4-15(17-10-12)20-5-7-21-8-6-20/h2,4,9-11H,5-8H2,(H2,16,18,19).
What are the key properties of 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine is sourced from PubChem (CID 23646789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).