5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine

C20H22ClN5O — CID 110240343

IUPAC5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NCC2(C)CCCO2)ncc1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O/c1-20(7-4-10-27-20)13-24-19-23-12-16(14-5-3-6-15(21)11-14)17(25-19)18-22-8-9-26(18)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,23,24,25)
InChIKeyLSCMMWCUSWWXFG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.18
Rot. Bonds5

About 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine

5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine (PubChem CID 110240343) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine
PubChem CID110240343
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1-c1nc(NCC2(C)CCCO2)ncc1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O/c1-20(7-4-10-27-20)13-24-19-23-12-16(14-5-3-6-15(21)11-14)17(25-19)18-22-8-9-26(18)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,23,24,25)
InChIKeyLSCMMWCUSWWXFG-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine (CID 110240343) is 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine is Cn1ccnc1-c1nc(NCC2(C)CCCO2)ncc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is LSCMMWCUSWWXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-20(7-4-10-27-20)13-24-19-23-12-16(14-5-3-6-15(21)11-14)17(25-19)18-22-8-9-26(18)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine?
5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 383.88 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 110240343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).