5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol

C20H29ClN6O2 — CID 171659961

IUPAC5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
SMILESCN1CCC2(CC1)CCn1c(-c3nc(N)ncc3Cl)cnc12.OC1CCCOC1
InChIInChI=1S/C15H19ClN6.C5H10O2/c1-21-5-2-15(3-6-21)4-7-22-11(9-18-13(15)22)12-10(16)8-19-14(17)20-12;6-5-2-1-3-7-4-5/h8-9H,2-7H2,1H3,(H2,17,19,20);5-6H,1-4H2
InChIKeyOGAQYZFHOYZXHQ-UHFFFAOYSA-N
MW420.95 g/mol
LogP2.10
Rot. Bonds1

About 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol

5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171659961) has the molecular formula C20H29ClN6O2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
PubChem CID171659961
Molecular FormulaC20H29ClN6O2
Molecular Weight420.95 g/mol
Exact Mass420.20
IUPAC Name5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
SMILESCN1CCC2(CC1)CCn1c(-c3nc(N)ncc3Cl)cnc12.OC1CCCOC1
InChIInChI=1S/C15H19ClN6.C5H10O2/c1-21-5-2-15(3-6-21)4-7-22-11(9-18-13(15)22)12-10(16)8-19-14(17)20-12;6-5-2-1-3-7-4-5/h8-9H,2-7H2,1H3,(H2,17,19,20);5-6H,1-4H2
InChIKeyOGAQYZFHOYZXHQ-UHFFFAOYSA-N
XLogP2.10
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol with MolForge

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Related Compounds

5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659515
5-chloro-4-[5-(4-methoxy-1-methylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyrimidin-2-amine;oxan-3-ol
CID 171661090
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661359
CID 171659458
CID 171659458
5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
CID 171660077
5-chloro-4-[5-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]pyrimidin-2-amine;oxan-3-ol
CID 171660576
5-chloro-4-[1-[(4-methylcyclohexyl)methyl]pyrazol-4-yl]pyrimidin-2-amine;oxan-3-ol
CID 171660248
5-chloro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661024
5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688856
5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659421
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688929
5-chloro-4-(2-hexan-3-yloxy-6-methyl-4-pyridinyl)pyrimidin-2-amine;oxan-3-ol
CID 171660840

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol (CID 171659961) is 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol is CN1CCC2(CC1)CCn1c(-c3nc(N)ncc3Cl)cnc12.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol?
The InChIKey is OGAQYZFHOYZXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6.C5H10O2/c1-21-5-2-15(3-6-21)4-7-22-11(9-18-13(15)22)12-10(16)8-19-14(17)20-12;6-5-2-1-3-7-4-5/h8-9H,2-7H2,1H3,(H2,17,19,20);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 420.95 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171659961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).