N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide

C11H14Cl2N4O — CID 138005845

IUPACN-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C11H14Cl2N4O/c1-2-10(18)14-7-3-4-17(6-7)9-5-8(12)15-11(13)16-9/h5,7H,2-4,6H2,1H3,(H,14,18)
InChIKeyLIMRRODIUNNCGW-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.89
Rot. Bonds3

About N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide

N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide (PubChem CID 138005845) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
PubChem CID138005845
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC NameN-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cc(Cl)nc(Cl)n2)C1
InChIInChI=1S/C11H14Cl2N4O/c1-2-10(18)14-7-3-4-17(6-7)9-5-8(12)15-11(13)16-9/h5,7H,2-4,6H2,1H3,(H,14,18)
InChIKeyLIMRRODIUNNCGW-UHFFFAOYSA-N
XLogP1.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]-2-ethylbutanamide
CID 167742842
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
CID 71996611
N-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 113402560
tert-butyl N-[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 71634263
methyl N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 106768257
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
2-[4-chloro-6-[(3R)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclopropylacetamide
CID 1052844
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
N-[(3S)-1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]propanamide
CID 166323522
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
(2S)-4-[6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide
CID 7347989
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 102719156

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide (CID 138005845) is N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide is CCC(=O)NC1CCN(c2cc(Cl)nc(Cl)n2)C1.
What is the InChIKey of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is LIMRRODIUNNCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-2-10(18)14-7-3-4-17(6-7)9-5-8(12)15-11(13)16-9/h5,7H,2-4,6H2,1H3,(H,14,18).
What are the key properties of N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide?
N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 289.17 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 138005845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).