N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine

C15H17F2N3 — CID 62614721

IUPACN-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C15H17F2N3/c1-10(2)14-8-15(20-9-19-14)18-4-3-11-5-12(16)7-13(17)6-11/h5-10H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyLQOBTNQXJQQZFM-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine

N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62614721) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID62614721
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCCc2cc(F)cc(F)c2)ncn1
InChIInChI=1S/C15H17F2N3/c1-10(2)14-8-15(20-9-19-14)18-4-3-11-5-12(16)7-13(17)6-11/h5-10H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyLQOBTNQXJQQZFM-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
N-[2-(3,5-difluorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66329398
6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293653
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine (CID 62614721) is N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCCc2cc(F)cc(F)c2)ncn1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is LQOBTNQXJQQZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-10(2)14-8-15(20-9-19-14)18-4-3-11-5-12(16)7-13(17)6-11/h5-10H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine?
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62614721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).