N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine

C14H17ClFN3 — CID 4901319

IUPACN-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H17ClFN3/c15-14-17-6-11(16)13(19-14)18-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,17,18,19)
InChIKeyNDFVNSKTIXBVJE-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.51
Rot. Bonds2

About N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine

N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 4901319) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID4901319
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC NameN-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H17ClFN3/c15-14-17-6-11(16)13(19-14)18-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,17,18,19)
InChIKeyNDFVNSKTIXBVJE-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine (CID 4901319) is N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is NDFVNSKTIXBVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c15-14-17-6-11(16)13(19-14)18-12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12H,1-5H2,(H,17,18,19).
What are the key properties of N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine?
N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 281.76 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 4901319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).