N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine

C14H17F2N3 — CID 15274083

IUPACN-(1-adamantyl)-2,6-difluoropyrimidin-4-amine
SMILESFc1cc(NC23CC4CC(CC(C4)C2)C3)nc(F)n1
InChIInChI=1S/C14H17F2N3/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H,17,18,19)
InChIKeyXPRVNSIZYKCUSD-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds2

About N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine

N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine (PubChem CID 15274083) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-2,6-difluoropyrimidin-4-amine
PubChem CID15274083
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1-adamantyl)-2,6-difluoropyrimidin-4-amine
SMILESFc1cc(NC23CC4CC(CC(C4)C2)C3)nc(F)n1
InChIInChI=1S/C14H17F2N3/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H,17,18,19)
InChIKeyXPRVNSIZYKCUSD-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine?
The IUPAC name of N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine (CID 15274083) is N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine.
What is the SMILES notation for N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine?
The canonical SMILES for N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine is Fc1cc(NC23CC4CC(CC(C4)C2)C3)nc(F)n1.
What is the InChIKey of N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine?
The InChIKey is XPRVNSIZYKCUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H,17,18,19).
What are the key properties of N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine?
N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,6-difluoropyrimidin-4-amine is sourced from PubChem (CID 15274083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).