1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine

C18H27N3 — CID 62797250

IUPAC1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H27N3/c1-11(19)3-16-4-12(2)20-17(21-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h4,11,13-15H,3,5-10,19H2,1-2H3
InChIKeySLVDMKZXZAVIHG-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine

1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine (PubChem CID 62797250) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine
PubChem CID62797250
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C18H27N3/c1-11(19)3-16-4-12(2)20-17(21-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h4,11,13-15H,3,5-10,19H2,1-2H3
InChIKeySLVDMKZXZAVIHG-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine (CID 62797250) is 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine is Cc1cc(CC(C)N)nc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine?
The InChIKey is SLVDMKZXZAVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-11(19)3-16-4-12(2)20-17(21-16)18-8-13-5-14(9-18)7-15(6-13)10-18/h4,11,13-15H,3,5-10,19H2,1-2H3.
What are the key properties of 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine?
1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-6-methylpyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 62797250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).