2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine

C14H23ClFN3 — CID 107870649

IUPAC2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(CCC(C)C)c1nc(Cl)ncc1F
InChIInChI=1S/C14H23ClFN3/c1-10(2)5-7-19(8-6-11(3)4)13-12(16)9-17-14(15)18-13/h9-11H,5-8H2,1-4H3
InChIKeyHSJDQOSDGUZHSG-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.17
Rot. Bonds7

About 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine

2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine (PubChem CID 107870649) has the molecular formula C14H23ClFN3 and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine
PubChem CID107870649
Molecular FormulaC14H23ClFN3
Molecular Weight287.81 g/mol
Exact Mass287.16
IUPAC Name2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(CCC(C)C)c1nc(Cl)ncc1F
InChIInChI=1S/C14H23ClFN3/c1-10(2)5-7-19(8-6-11(3)4)13-12(16)9-17-14(15)18-13/h9-11H,5-8H2,1-4H3
InChIKeyHSJDQOSDGUZHSG-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine (CID 107870649) is 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine is CC(C)CCN(CCC(C)C)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is HSJDQOSDGUZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClFN3/c1-10(2)5-7-19(8-6-11(3)4)13-12(16)9-17-14(15)18-13/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 287.81 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N,N-bis(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 107870649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).