2-(1-adamantyl)-N-ethylpyrimidin-4-amine

C16H23N3 — CID 63485078

IUPAC2-(1-adamantyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H23N3/c1-2-17-14-3-4-18-15(19-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H,17,18,19)
InChIKeyYKMADYKGRUSBQZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-adamantyl)-N-ethylpyrimidin-4-amine

2-(1-adamantyl)-N-ethylpyrimidin-4-amine (PubChem CID 63485078) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-ethylpyrimidin-4-amine
PubChem CID63485078
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-adamantyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C16H23N3/c1-2-17-14-3-4-18-15(19-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H,17,18,19)
InChIKeyYKMADYKGRUSBQZ-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine
CID 63531451
N-ethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
CID 63081004
6-(1-adamantyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 63482226
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
5-[2-(1-adamantyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-oxazole
CID 628141
N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 67325580
N-ethyl-2-(3-ethylcyclohexyl)pyrimidin-4-amine
CID 65413212
N'-[4-(1-adamantyl)pyrimidin-2-yl]propane-1,3-diamine
CID 19621248
2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63486827
2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 62201542
N-ethyl-2-pyrrolidin-3-yloxypyrimidin-4-amine
CID 129317548
3-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80856561

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(1-adamantyl)-N-ethylpyrimidin-4-amine (CID 63485078) is 2-(1-adamantyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-adamantyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-adamantyl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantyl)-N-ethylpyrimidin-4-amine?
The InChIKey is YKMADYKGRUSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-17-14-3-4-18-15(19-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-adamantyl)-N-ethylpyrimidin-4-amine?
2-(1-adamantyl)-N-ethylpyrimidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 63485078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).