4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine

C17H23F2N5 — CID 51852593

IUPAC4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
SMILESCCn1ncc(-c2cc(C(F)F)nc(N3CCC[C@@H](C)C3)n2)c1C
InChIInChI=1S/C17H23F2N5/c1-4-24-12(3)13(9-20-24)14-8-15(16(18)19)22-17(21-14)23-7-5-6-11(2)10-23/h8-9,11,16H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKeyBOJBIYRYDJCXON-LLVKDONJSA-N
MW335.40 g/mol
LogP3.84
Rot. Bonds4

About 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine

4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine (PubChem CID 51852593) has the molecular formula C17H23F2N5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
PubChem CID51852593
Molecular FormulaC17H23F2N5
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
SMILESCCn1ncc(-c2cc(C(F)F)nc(N3CCC[C@@H](C)C3)n2)c1C
InChIInChI=1S/C17H23F2N5/c1-4-24-12(3)13(9-20-24)14-8-15(16(18)19)22-17(21-14)23-7-5-6-11(2)10-23/h8-9,11,16H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKeyBOJBIYRYDJCXON-LLVKDONJSA-N
XLogP3.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine (CID 51852593) is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine is CCn1ncc(-c2cc(C(F)F)nc(N3CCC[C@@H](C)C3)n2)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
The InChIKey is BOJBIYRYDJCXON-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23F2N5/c1-4-24-12(3)13(9-20-24)14-8-15(16(18)19)22-17(21-14)23-7-5-6-11(2)10-23/h8-9,11,16H,4-7,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine?
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine has a molecular weight of 335.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine is sourced from PubChem (CID 51852593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).