4-(1-adamantylmethyl)pyrimidin-2-amine

C15H21N3 — CID 15490446

IUPAC4-(1-adamantylmethyl)pyrimidin-2-amine
SMILESNc1nccc(CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H21N3/c16-14-17-2-1-13(18-14)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H2,16,17,18)
InChIKeyOAHQJNMAWYEFMT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.82
Rot. Bonds2

About 4-(1-adamantylmethyl)pyrimidin-2-amine

4-(1-adamantylmethyl)pyrimidin-2-amine (PubChem CID 15490446) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1-adamantylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-adamantylmethyl)pyrimidin-2-amine
PubChem CID15490446
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(1-adamantylmethyl)pyrimidin-2-amine
SMILESNc1nccc(CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H21N3/c16-14-17-2-1-13(18-14)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H2,16,17,18)
InChIKeyOAHQJNMAWYEFMT-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-adamantylmethyl)pyrimidin-2-amine (CID 15490446) is 4-(1-adamantylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-adamantylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-adamantylmethyl)pyrimidin-2-amine is Nc1nccc(CC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 4-(1-adamantylmethyl)pyrimidin-2-amine?
The InChIKey is OAHQJNMAWYEFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-14-17-2-1-13(18-14)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H2,16,17,18).
What are the key properties of 4-(1-adamantylmethyl)pyrimidin-2-amine?
4-(1-adamantylmethyl)pyrimidin-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 15490446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).