2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine

C10H16F2N4 — CID 115409403

IUPAC2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(NCC(F)F)n1
InChIInChI=1S/C10H16F2N4/c1-10(2,3)9-15-7(13)4-8(16-9)14-5-6(11)12/h4,6H,5H2,1-3H3,(H3,13,14,15,16)
InChIKeyVEWZENXBOUYNNZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.03
Rot. Bonds3

About 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine (PubChem CID 115409403) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
PubChem CID115409403
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(NCC(F)F)n1
InChIInChI=1S/C10H16F2N4/c1-10(2,3)9-15-7(13)4-8(16-9)14-5-6(11)12/h4,6H,5H2,1-3H3,(H3,13,14,15,16)
InChIKeyVEWZENXBOUYNNZ-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
CID 80961925
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]acetamide
CID 80956992
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 113464266
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 115409505
2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129
2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80958767
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine (CID 115409403) is 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine is CC(C)(C)c1nc(N)cc(NCC(F)F)n1.
What is the InChIKey of 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is VEWZENXBOUYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-10(2,3)9-15-7(13)4-8(16-9)14-5-6(11)12/h4,6H,5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 230.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115409403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).