N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

C15H23N5O2 — CID 124953617

IUPACN-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CN(C)C)n1
InChIInChI=1S/C15H23N5O2/c1-11(21)17-9-12-6-7-16-15(18-12)13-5-4-8-20(13)14(22)10-19(2)3/h6-7,13H,4-5,8-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyDWKFCQCOSFAINS-CYBMUJFWSA-N
MW305.38 g/mol
LogP0.34
Rot. Bonds5

About N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 124953617) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID124953617
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CN(C)C)n1
InChIInChI=1S/C15H23N5O2/c1-11(21)17-9-12-6-7-16-15(18-12)13-5-4-8-20(13)14(22)10-19(2)3/h6-7,13H,4-5,8-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyDWKFCQCOSFAINS-CYBMUJFWSA-N
XLogP0.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 124953617) is N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CN(C)C)n1.
What is the InChIKey of N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is DWKFCQCOSFAINS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(21)17-9-12-6-7-16-15(18-12)13-5-4-8-20(13)14(22)10-19(2)3/h6-7,13H,4-5,8-10H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 124953617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).