4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine

C14H19FN4 — CID 80768891

IUPAC4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C14H19FN4/c15-11-7-17-13(16)18-12(11)19-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H3,16,17,18,19)
InChIKeyPDNAJLQOPYJWFB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.58
Rot. Bonds2

About 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine

4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80768891) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80768891
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C14H19FN4/c15-11-7-17-13(16)18-12(11)19-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H3,16,17,18,19)
InChIKeyPDNAJLQOPYJWFB-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine (CID 80768891) is 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine is Nc1ncc(F)c(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is PDNAJLQOPYJWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c15-11-7-17-13(16)18-12(11)19-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H3,16,17,18,19).
What are the key properties of 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80768891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).