2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C18H25N3 — CID 63486827

IUPAC2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H25N3/c1-19-16-7-15(14-2-3-14)20-17(21-16)18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-14H,2-6,8-10H2,1H3,(H,19,20,21)
InChIKeyCMVUIRXXPORANM-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.86
Rot. Bonds3

About 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 63486827) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID63486827
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H25N3/c1-19-16-7-15(14-2-3-14)20-17(21-16)18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-14H,2-6,8-10H2,1H3,(H,19,20,21)
InChIKeyCMVUIRXXPORANM-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 63486827) is 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is CMVUIRXXPORANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-16-7-15(14-2-3-14)20-17(21-16)18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-14H,2-6,8-10H2,1H3,(H,19,20,21).
What are the key properties of 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63486827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).