[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C21H27N5O — CID 109341154

IUPAC[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCN(c2ccc(Nc3cc(C(=O)N4CCCC4)ncn3)cc2)CC1
InChIInChI=1S/C21H27N5O/c1-16-8-12-25(13-9-16)18-6-4-17(5-7-18)24-20-14-19(22-15-23-20)21(27)26-10-2-3-11-26/h4-7,14-16H,2-3,8-13H2,1H3,(H,22,23,24)
InChIKeyNECHDKSERLDJNW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.69
Rot. Bonds4

About [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109341154) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109341154
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCN(c2ccc(Nc3cc(C(=O)N4CCCC4)ncn3)cc2)CC1
InChIInChI=1S/C21H27N5O/c1-16-8-12-25(13-9-16)18-6-4-17(5-7-18)24-20-14-19(22-15-23-20)21(27)26-10-2-3-11-26/h4-7,14-16H,2-3,8-13H2,1H3,(H,22,23,24)
InChIKeyNECHDKSERLDJNW-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
[6-(3,4-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342403
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342470
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341750

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109341154) is [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC1CCN(c2ccc(Nc3cc(C(=O)N4CCCC4)ncn3)cc2)CC1.
What is the InChIKey of [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NECHDKSERLDJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-8-12-25(13-9-16)18-6-4-17(5-7-18)24-20-14-19(22-15-23-20)21(27)26-10-2-3-11-26/h4-7,14-16H,2-3,8-13H2,1H3,(H,22,23,24).
What are the key properties of [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109341154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).