2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine

C19H24F4N8 — CID 75507402

IUPAC2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(N(C)Cc2nccn2C(F)F)nc(N(C)Cc2nccn2C(F)F)n1
InChIInChI=1S/C19H24F4N8/c1-12(2)13-9-14(28(3)10-15-24-5-7-30(15)17(20)21)27-19(26-13)29(4)11-16-25-6-8-31(16)18(22)23/h5-9,12,17-18H,10-11H2,1-4H3
InChIKeyUYWROWAEGMVWND-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.06
Rot. Bonds9

About 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine

2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 75507402) has the molecular formula C19H24F4N8 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID75507402
Molecular FormulaC19H24F4N8
Molecular Weight440.45 g/mol
Exact Mass440.21
IUPAC Name2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(N(C)Cc2nccn2C(F)F)nc(N(C)Cc2nccn2C(F)F)n1
InChIInChI=1S/C19H24F4N8/c1-12(2)13-9-14(28(3)10-15-24-5-7-30(15)17(20)21)27-19(26-13)29(4)11-16-25-6-8-31(16)18(22)23/h5-9,12,17-18H,10-11H2,1-4H3
InChIKeyUYWROWAEGMVWND-UHFFFAOYSA-N
XLogP4.06
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine (CID 75507402) is 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine is CC(C)c1cc(N(C)Cc2nccn2C(F)F)nc(N(C)Cc2nccn2C(F)F)n1.
What is the InChIKey of 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is UYWROWAEGMVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N8/c1-12(2)13-9-14(28(3)10-15-24-5-7-30(15)17(20)21)27-19(26-13)29(4)11-16-25-6-8-31(16)18(22)23/h5-9,12,17-18H,10-11H2,1-4H3.
What are the key properties of 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine?
2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 440.45 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-N,4-N-dimethyl-6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 75507402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).