(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone

C13H21N5O — CID 166280098

IUPAC(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC(C)(N(C)C)C2)c(N)n1
InChIInChI=1S/C13H21N5O/c1-9-15-7-10(11(14)16-9)12(19)18-6-5-13(2,8-18)17(3)4/h7H,5-6,8H2,1-4H3,(H2,14,15,16)
InChIKeyGUTMQCDPLDCRCX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds2

About (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone

(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 166280098) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone
PubChem CID166280098
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC(C)(N(C)C)C2)c(N)n1
InChIInChI=1S/C13H21N5O/c1-9-15-7-10(11(14)16-9)12(19)18-6-5-13(2,8-18)17(3)4/h7H,5-6,8H2,1-4H3,(H2,14,15,16)
InChIKeyGUTMQCDPLDCRCX-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone (CID 166280098) is (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC(C)(N(C)C)C2)c(N)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is GUTMQCDPLDCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-15-7-10(11(14)16-9)12(19)18-6-5-13(2,8-18)17(3)4/h7H,5-6,8H2,1-4H3,(H2,14,15,16).
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone?
(4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 166280098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).