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

C15H20ClN3 — CID 55080331

IUPACN-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H20ClN3/c1-9-17-13(16)5-14(18-9)19-15-6-10-2-11(7-15)4-12(3-10)8-15/h5,10-12H,2-4,6-8H2,1H3,(H,17,18,19)
InChIKeyKAMXHOJUEMIDGP-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.82
Rot. Bonds2

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

N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 55080331) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine
PubChem CID55080331
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C15H20ClN3/c1-9-17-13(16)5-14(18-9)19-15-6-10-2-11(7-15)4-12(3-10)8-15/h5,10-12H,2-4,6-8H2,1H3,(H,17,18,19)
InChIKeyKAMXHOJUEMIDGP-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine (CID 55080331) is N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is KAMXHOJUEMIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9-17-13(16)5-14(18-9)19-15-6-10-2-11(7-15)4-12(3-10)8-15/h5,10-12H,2-4,6-8H2,1H3,(H,17,18,19).
What are the key properties of N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine?
N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 277.80 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 55080331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).