5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine

C16H18N4 — CID 158129140

IUPAC5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C16H18N4/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17/h1,7-10H,6H2,2-4H3,(H2,17,18,20)
InChIKeyPKTKHSZXHZYNBJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.46
Rot. Bonds3

About 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine

5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 158129140) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
PubChem CID158129140
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
SMILESC#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C16H18N4/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17/h1,7-10H,6H2,2-4H3,(H2,17,18,20)
InChIKeyPKTKHSZXHZYNBJ-UHFFFAOYSA-N
XLogP2.46
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59598651
5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
CID 121015810
5-[(5-chloro-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 58207843
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-propan-2-ylbenzonitrile
CID 59598688
2-(4-amino-2-methylpyrimidin-5-yl)ethanol
CID 129317411
trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
CID 173304149
6-ethynyl-4-propan-2-ylpyridine-3-carbonitrile
CID 171723482
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 154404014
2-methyl-4,5-di(propan-2-yl)pyrimidine
CID 59058770
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 59598757
CID 66817606
CID 66817606

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine (CID 158129140) is 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is C#Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.
What is the InChIKey of 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is PKTKHSZXHZYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17/h1,7-10H,6H2,2-4H3,(H2,17,18,20).
What are the key properties of 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine?
5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158129140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).