4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine

C12H20F2N4 — CID 113304250

IUPAC4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC(F)F)c1C
InChIInChI=1S/C12H20F2N4/c1-4-6-15-11-8(3)12(16-7-9(13)14)18-10(5-2)17-11/h9H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyBTTCNVKFVOWYCN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds7

About 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 113304250) has the molecular formula C12H20F2N4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID113304250
Molecular FormulaC12H20F2N4
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(NCC(F)F)c1C
InChIInChI=1S/C12H20F2N4/c1-4-6-15-11-8(3)12(16-7-9(13)14)18-10(5-2)17-11/h9H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyBTTCNVKFVOWYCN-UHFFFAOYSA-N
XLogP2.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985227
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159660
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058
2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983333
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179265
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
2-ethyl-5-methyl-6-N-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219432

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 113304250) is 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(CC)nc(NCC(F)F)c1C.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BTTCNVKFVOWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4/c1-4-6-15-11-8(3)12(16-7-9(13)14)18-10(5-2)17-11/h9H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113304250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).