N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide

C24H28F3N5O3 — CID 155883433

IUPACN-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3cnc(OCC4CC4)nc3)N2)c1
InChIInChI=1S/C24H28F3N5O3/c1-13(2)22(34)28-9-15-5-6-18(24(25,26)27)17(7-15)21-31-19(8-20(33)32-21)16-10-29-23(30-11-16)35-12-14-3-4-14/h5-7,10-11,13-14,19,21,31H,3-4,8-9,12H2,1-2H3,(H,28,34)(H,32,33)
InChIKeyYKOGRGPKKFSKOZ-UHFFFAOYSA-N
MW491.51 g/mol
LogP3.41
Rot. Bonds8

About N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide

N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 155883433) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
PubChem CID155883433
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC NameN-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3cnc(OCC4CC4)nc3)N2)c1
InChIInChI=1S/C24H28F3N5O3/c1-13(2)22(34)28-9-15-5-6-18(24(25,26)27)17(7-15)21-31-19(8-20(33)32-21)16-10-29-23(30-11-16)35-12-14-3-4-14/h5-7,10-11,13-14,19,21,31H,3-4,8-9,12H2,1-2H3,(H,28,34)(H,32,33)
InChIKeyYKOGRGPKKFSKOZ-UHFFFAOYSA-N
XLogP3.41
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide (CID 155883433) is N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3cnc(OCC4CC4)nc3)N2)c1.
What is the InChIKey of N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is YKOGRGPKKFSKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-13(2)22(34)28-9-15-5-6-18(24(25,26)27)17(7-15)21-31-19(8-20(33)32-21)16-10-29-23(30-11-16)35-12-14-3-4-14/h5-7,10-11,13-14,19,21,31H,3-4,8-9,12H2,1-2H3,(H,28,34)(H,32,33).
What are the key properties of N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 491.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).