5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

C10H13FN6 — CID 80799074

IUPAC5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1cnn(C)c1)c1nc(N)ncc1F
InChIInChI=1S/C10H13FN6/c1-16(5-7-3-14-17(2)6-7)9-8(11)4-13-10(12)15-9/h3-4,6H,5H2,1-2H3,(H2,12,13,15)
InChIKeyRARSUNVRFYZMSQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.57
Rot. Bonds3

About 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80799074) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80799074
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(Cc1cnn(C)c1)c1nc(N)ncc1F
InChIInChI=1S/C10H13FN6/c1-16(5-7-3-14-17(2)6-7)9-8(11)4-13-10(12)15-9/h3-4,6H,5H2,1-2H3,(H2,12,13,15)
InChIKeyRARSUNVRFYZMSQ-UHFFFAOYSA-N
XLogP0.57
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80799074) is 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is CN(Cc1cnn(C)c1)c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RARSUNVRFYZMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-16(5-7-3-14-17(2)6-7)9-8(11)4-13-10(12)15-9/h3-4,6H,5H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 236.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80799074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).