3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide

C19H23ClN4O2 — CID 142796705

IUPAC3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCc1cc(-c2cc(Cl)ncn2)ccc1CC1(OC(C)C)CN(C(N)=O)C1
InChIInChI=1S/C19H23ClN4O2/c1-12(2)26-19(9-24(10-19)18(21)25)8-15-5-4-14(6-13(15)3)16-7-17(20)23-11-22-16/h4-7,11-12H,8-10H2,1-3H3,(H2,21,25)
InChIKeyHCQBCFPCWNBHAY-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.21
Rot. Bonds5

About 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide

3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide (PubChem CID 142796705) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
PubChem CID142796705
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
SMILESCc1cc(-c2cc(Cl)ncn2)ccc1CC1(OC(C)C)CN(C(N)=O)C1
InChIInChI=1S/C19H23ClN4O2/c1-12(2)26-19(9-24(10-19)18(21)25)8-15-5-4-14(6-13(15)3)16-7-17(20)23-11-22-16/h4-7,11-12H,8-10H2,1-3H3,(H2,21,25)
InChIKeyHCQBCFPCWNBHAY-UHFFFAOYSA-N
XLogP3.21
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-chloropyrimidin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
CID 118139264
N-[[4-(2-chloropyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)phenyl]methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
CID 147050662
[1-[2-(6-Chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
CID 150779756
tert-Butyl 4-(6-chloropyrimidin-4-yl)-2-methylbenzylcarbamate
CID 92042987
N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139149
N-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
CID 118139371
N-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139561
N-[[4-(2-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139570
N-[[4-(2-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide
CID 118155860
N-[2-[2-[[(E)-1-amino-3-ethyliminoprop-1-en-2-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 134420992
N-[2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 135294600
3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
CID 135294642

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The IUPAC name of 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide (CID 142796705) is 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide is Cc1cc(-c2cc(Cl)ncn2)ccc1CC1(OC(C)C)CN(C(N)=O)C1.
What is the InChIKey of 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
The InChIKey is HCQBCFPCWNBHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12(2)26-19(9-24(10-19)18(21)25)8-15-5-4-14(6-13(15)3)16-7-17(20)23-11-22-16/h4-7,11-12H,8-10H2,1-3H3,(H2,21,25).
What are the key properties of 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide?
3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 142796705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).