N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide

C24H28F4N4O3 — CID 138750520

IUPACN-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide
SMILESCc1nc(CC(=O)NC2(C(F)F)CC2)c(C2OCCO2)c(N[C@H](C)c2cccc(C(F)F)c2C)n1
InChIInChI=1S/C24H28F4N4O3/c1-12-15(5-4-6-16(12)20(25)26)13(2)29-21-19(22-34-9-10-35-22)17(30-14(3)31-21)11-18(33)32-24(7-8-24)23(27)28/h4-6,13,20,22-23H,7-11H2,1-3H3,(H,32,33)(H,29,30,31)/t13-/m1/s1
InChIKeyKNWORSUVWQFGPP-CYBMUJFWSA-N
MW496.51 g/mol
LogP4.71
Rot. Bonds9

About N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide

N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide (PubChem CID 138750520) has the molecular formula C24H28F4N4O3 and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide
PubChem CID138750520
Molecular FormulaC24H28F4N4O3
Molecular Weight496.51 g/mol
Exact Mass496.21
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide
SMILESCc1nc(CC(=O)NC2(C(F)F)CC2)c(C2OCCO2)c(N[C@H](C)c2cccc(C(F)F)c2C)n1
InChIInChI=1S/C24H28F4N4O3/c1-12-15(5-4-6-16(12)20(25)26)13(2)29-21-19(22-34-9-10-35-22)17(30-14(3)31-21)11-18(33)32-24(7-8-24)23(27)28/h4-6,13,20,22-23H,7-11H2,1-3H3,(H,32,33)(H,29,30,31)/t13-/m1/s1
InChIKeyKNWORSUVWQFGPP-CYBMUJFWSA-N
XLogP4.71
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide (CID 138750520) is N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide is Cc1nc(CC(=O)NC2(C(F)F)CC2)c(C2OCCO2)c(N[C@H](C)c2cccc(C(F)F)c2C)n1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide?
The InChIKey is KNWORSUVWQFGPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H28F4N4O3/c1-12-15(5-4-6-16(12)20(25)26)13(2)29-21-19(22-34-9-10-35-22)17(30-14(3)31-21)11-18(33)32-24(7-8-24)23(27)28/h4-6,13,20,22-23H,7-11H2,1-3H3,(H,32,33)(H,29,30,31)/t13-/m1/s1.
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide?
N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide has a molecular weight of 496.51 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]-2-[6-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-5-(1,3-dioxolan-2-yl)-2-methylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 138750520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).