5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol

C17H24ClN5O3 — CID 171661359

IUPAC5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
SMILESNc1ncc(Cl)c(-c2cnc(C3CCNCC3)o2)n1.OC1CCCOC1
InChIInChI=1S/C12H14ClN5O.C5H10O2/c13-8-5-17-12(14)18-10(8)9-6-16-11(19-9)7-1-3-15-4-2-7;6-5-2-1-3-7-4-5/h5-7,15H,1-4H2,(H2,14,17,18);5-6H,1-4H2
InChIKeyOMCWWZJMWCQYRM-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.99
Rot. Bonds2

About 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol

5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171661359) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
PubChem CID171661359
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Name5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol
SMILESNc1ncc(Cl)c(-c2cnc(C3CCNCC3)o2)n1.OC1CCCOC1
InChIInChI=1S/C12H14ClN5O.C5H10O2/c13-8-5-17-12(14)18-10(8)9-6-16-11(19-9)7-1-3-15-4-2-7;6-5-2-1-3-7-4-5/h5-7,15H,1-4H2,(H2,14,17,18);5-6H,1-4H2
InChIKeyOMCWWZJMWCQYRM-UHFFFAOYSA-N
XLogP1.99
TPSA119.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659421
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-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659961
CID 171659458
CID 171659458
5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
CID 171660077
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyridin-2-amine
CID 171660385
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
tert-butyl 4-[5-(2-amino-5-chloro-4-pyridinyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate;oxan-3-ol
CID 171660536
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-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine;oxan-3-ol
CID 171661024
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-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol (CID 171661359) is 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol is Nc1ncc(Cl)c(-c2cnc(C3CCNCC3)o2)n1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol?
The InChIKey is OMCWWZJMWCQYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O.C5H10O2/c13-8-5-17-12(14)18-10(8)9-6-16-11(19-9)7-1-3-15-4-2-7;6-5-2-1-3-7-4-5/h5-7,15H,1-4H2,(H2,14,17,18);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 381.86 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171661359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).