2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone

C16H25N5O — CID 95825474

IUPAC2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone
SMILESCc1nc(NCC(=O)N2CCCCC2)cc([C@@H]2CCCN2)n1
InChIInChI=1S/C16H25N5O/c1-12-19-14(13-6-5-7-17-13)10-15(20-12)18-11-16(22)21-8-3-2-4-9-21/h10,13,17H,2-9,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyODYISMKNJLIFQH-ZDUSSCGKSA-N
MW303.41 g/mol
LogP1.63
Rot. Bonds4

About 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone

2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone (PubChem CID 95825474) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone
PubChem CID95825474
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone
SMILESCc1nc(NCC(=O)N2CCCCC2)cc([C@@H]2CCCN2)n1
InChIInChI=1S/C16H25N5O/c1-12-19-14(13-6-5-7-17-13)10-15(20-12)18-11-16(22)21-8-3-2-4-9-21/h10,13,17H,2-9,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyODYISMKNJLIFQH-ZDUSSCGKSA-N
XLogP1.63
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone (CID 95825474) is 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone is Cc1nc(NCC(=O)N2CCCCC2)cc([C@@H]2CCCN2)n1.
What is the InChIKey of 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone?
The InChIKey is ODYISMKNJLIFQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-19-14(13-6-5-7-17-13)10-15(20-12)18-11-16(22)21-8-3-2-4-9-21/h10,13,17H,2-9,11H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone?
2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone has a molecular weight of 303.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 95825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).