N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide

C13H21N5O — CID 144655106

IUPACN,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C13H21N5O/c1-17(2)13(19)9-18-7-4-11(5-8-18)16-12-3-6-14-10-15-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,14,15,16)
InChIKeyXGMZSQSEQNDMOE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.44
Rot. Bonds4

About N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide (PubChem CID 144655106) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
PubChem CID144655106
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C13H21N5O/c1-17(2)13(19)9-18-7-4-11(5-8-18)16-12-3-6-14-10-15-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,14,15,16)
InChIKeyXGMZSQSEQNDMOE-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide (CID 144655106) is N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
The InChIKey is XGMZSQSEQNDMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17(2)13(19)9-18-7-4-11(5-8-18)16-12-3-6-14-10-15-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,14,15,16).
What are the key properties of N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 144655106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).