5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine

C19H17N5 — CID 58073023

IUPAC5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(-c2ccc(C)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H17N5/c1-3-17-16(8-5-14-6-9-18(20)22-10-14)19(24-12-23-17)15-7-4-13(2)21-11-15/h4,6-7,9-12H,3H2,1-2H3,(H2,20,22)
InChIKeyMIMKLQMPRIENAX-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.79
Rot. Bonds2

About 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073023) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073023
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(-c2ccc(C)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C19H17N5/c1-3-17-16(8-5-14-6-9-18(20)22-10-14)19(24-12-23-17)15-7-4-13(2)21-11-15/h4,6-7,9-12H,3H2,1-2H3,(H2,20,22)
InChIKeyMIMKLQMPRIENAX-UHFFFAOYSA-N
XLogP2.79
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-methyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58072968
1-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]propan-1-one
CID 58072702
5-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-N,N-diethylbenzamide
CID 58072904
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-hydroxy-N-methylbenzamide
CID 58073024
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoic acid
CID 58072596
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methylphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 58072617
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methylphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 58072613
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 58072608
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 58072734
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 58072662
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 53354249
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58073075

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073023) is 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(-c2ccc(C)nc2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is MIMKLQMPRIENAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-3-17-16(8-5-14-6-9-18(20)22-10-14)19(24-12-23-17)15-7-4-13(2)21-11-15/h4,6-7,9-12H,3H2,1-2H3,(H2,20,22).
What are the key properties of 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 315.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).